data_1klp_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 1klp _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.425 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 2.5 tp60 -62.45 -62.93 1.41 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 110.283 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.547 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -51.94 -18.2 1.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.337 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.401 ' O ' ' HA3' ' A' ' 11' ' ' GLY . 0.1 OUTLIER -76.27 -47.42 23.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.266 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.506 ' CD1' ' CG1' ' A' ' 74' ' ' VAL . 5.8 mt -88.72 -3.96 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.49 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 2.8 mt -105.36 -42.23 6.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.112 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.547 ' CB ' ' O ' ' A' ' 6' ' ' GLU . . . -93.41 -38.99 11.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 7' ' ' GLU . . . -65.69 -41.56 95.81 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -77.89 -51.79 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 9' ' ' ILE . . . -42.46 -46.96 4.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -59.14 -47.04 86.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.8 mt -62.4 -42.14 94.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.471 HD13 ' CG1' ' A' ' 27' ' ' ILE . 6.3 mt -55.36 -33.67 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.464 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 4.2 tm-20 -74.98 1.29 13.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.59 -43.97 4.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.512 ' CG1' ' OG ' ' A' ' 43' ' ' SER . 2.6 t -84.45 -65.56 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.25 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 16' ' ' ILE . 41.7 p -76.83 -20.4 56.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 70.61 21.8 77.82 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.502 1.126 . . . . 0.0 111.047 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.464 ' O ' ' CB ' ' A' ' 17' ' ' GLU . 55.5 mt -81.01 165.35 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -69.57 154.05 95.16 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.259 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -49.91 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.498 1.788 . . . . 0.0 110.951 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.68 -24.05 64.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.972 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -63.7 -46.15 86.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.471 ' CG1' HD13 ' A' ' 16' ' ' ILE . 0.7 OUTLIER -61.76 132.32 27.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.62 167.34 20.89 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 110.366 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.472 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 18.3 Cg_endo -75.01 1.86 7.28 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.781 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.08 2.18 53.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.419 ' CE ' ' OD1' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -61.08 167.94 2.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.566 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -128.53 12.33 6.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.972 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.566 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.3 t80 79.91 -36.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.478 ' CG2' ' HA ' ' A' ' 40' ' ' ASP . 1.1 t -136.89 -56.59 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.468 ' CB ' ' HB3' ' A' ' 32' ' ' SER . 17.3 t0 -38.3 -31.34 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -105.69 -67.98 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 47.3 mt -41.82 -55.3 3.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.257 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 68.7 12.05 8.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.573 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -91.76 -17.63 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.573 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 6.2 t70 88.0 -170.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.506 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 14.0 p -87.51 -0.18 56.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.47 -67.86 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.512 ' OG ' ' CG1' ' A' ' 19' ' ' VAL . 6.6 t -65.52 -48.83 71.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.024 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.52 ' SD ' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -47.22 -35.48 7.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 111.003 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.506 ' CG2' ' O ' ' A' ' 41' ' ' SER . 2.0 t -60.88 -33.4 55.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 43' ' ' SER . 0.0 OUTLIER -74.43 -54.14 8.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.334 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.493 HG13 ' CG2' ' A' ' 19' ' ' VAL . 3.5 mt -43.51 -38.45 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.501 ' CB ' ' OE2' ' A' ' 52' ' ' GLU . . . -73.77 -48.38 32.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -48.61 -25.96 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 54' ' ' LYS . 50.7 mt-30 -89.04 -59.78 2.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.125 . . . . 0.0 110.306 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.0 m -51.47 -38.98 56.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.415 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.501 ' OE2' ' CB ' ' A' ' 48' ' ' ALA . 1.5 mt-10 -74.82 -2.12 25.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.336 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.23 -60.76 1.82 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 50' ' ' GLN . 11.6 mttt -40.85 -42.33 1.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.567 ' CD1' HG11 ' A' ' 57' ' ' VAL . 44.8 t80 -106.86 -53.16 2.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 111.043 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.38 26.13 4.69 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.488 1.118 . . . . 0.0 110.974 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.567 HG11 ' CD1' ' A' ' 55' ' ' TYR . 9.7 m -64.5 158.03 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.78 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.42 104.08 15.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.484 ' CG2' ' O ' ' A' ' 59' ' ' ILE . 41.1 mt -148.53 65.93 8.8 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 169.67 22.11 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.428 1.751 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.23 -42.01 39.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -51.74 -20.77 2.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.282 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.604 ' CG ' ' CE2' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -113.64 -34.15 5.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.265 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.94 -15.37 30.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.13 -38.22 36.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -78.95 -46.98 7.96 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.606 ' CD2' ' CD2' ' A' ' 76' ' ' TYR . 19.0 mt -39.75 115.41 0.52 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 0.76 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.96 -40.18 5.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.324 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 35.8 p -134.01 175.5 9.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.41 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.7 t -57.33 -49.4 80.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -49.95 -37.03 28.34 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.125 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -80.56 -35.56 34.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 0.788 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.477 ' CG1' HD12 ' A' ' 67' ' ' LEU . 48.2 t -72.18 -15.87 18.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.506 ' CG1' ' CD1' ' A' ' 8' ' ' ILE . 80.0 t -94.55 -55.72 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 79' ' ' LYS . . . -46.0 -55.28 7.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.606 ' CD2' ' CD2' ' A' ' 67' ' ' LEU . 1.8 m-30 -42.3 -27.36 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.482 ' CD1' HD11 ' A' ' 59' ' ' ILE . 2.7 mt -85.29 -75.92 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -48.91 -54.31 15.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' A' ' 75' ' ' ALA . 23.3 mmtm . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.8 m . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.447 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 4.6 tp60 -48.96 -69.16 0.13 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.468 1.105 . . . . 0.0 110.364 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.514 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -50.39 -21.08 1.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.29 -43.48 56.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.533 ' CD1' ' CG1' ' A' ' 74' ' ' VAL . 4.1 mt -92.9 -4.13 10.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.144 . . . . 0.0 109.344 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.492 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 2.8 mt -105.06 -41.59 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 6' ' ' GLU . . . -92.76 -35.99 13.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 109.223 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.34 -42.74 73.37 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.474 1.109 . . . . 0.0 110.952 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.0 OUTLIER -76.17 -53.53 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 0.791 . . . . 0.0 109.24 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 9' ' ' ILE . . . -40.46 -46.97 2.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -59.64 -43.64 93.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.326 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.473 ' N ' ' O ' ' A' ' 12' ' ' ILE . 32.4 mt -64.84 -44.55 96.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.436 1.085 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.456 ' O ' ' OG1' ' A' ' 20' ' ' THR . 26.1 mt -53.82 -32.33 21.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.517 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 0.3 OUTLIER -76.77 3.19 12.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.11 -45.25 3.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.266 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.51 ' CG1' ' OG ' ' A' ' 43' ' ' SER . 2.8 t -79.02 -62.69 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.409 1.068 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.456 ' OG1' ' O ' ' A' ' 16' ' ' ILE . 36.7 p -80.34 -30.99 38.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 110.423 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.1 24.53 51.88 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.452 1.095 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.517 ' O ' ' CB ' ' A' ' 17' ' ' GLU . 33.1 mt -85.5 166.15 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.476 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 0.1 OUTLIER -68.84 148.22 97.94 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -50.0 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.468 1.773 . . . . 0.0 110.946 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.27 -24.64 67.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 110.02 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -62.57 -42.64 99.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 110.324 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.444 ' N ' ' CD1' ' A' ' 27' ' ' ILE . 0.7 OUTLIER -61.37 130.97 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.245 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.445 ' C ' ' H ' ' A' ' 30' ' ' GLU . 0.9 OUTLIER -141.02 165.74 27.33 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.436 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 40.35 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.445 ' H ' ' C ' ' A' ' 28' ' ' THR . 1.7 mm-40 -138.56 8.93 2.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.082 . . . . 0.0 110.314 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.414 ' NZ ' ' HB3' ' A' ' 36' ' ' ASP . 1.4 mmtt -69.6 167.92 15.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.562 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -129.09 12.31 6.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.035 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.562 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.4 t80 79.62 -36.26 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 111.064 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.475 ' CG2' ' HA ' ' A' ' 40' ' ' ASP . 1.1 t -136.51 -56.86 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.458 ' CB ' ' HB3' ' A' ' 32' ' ' SER . 3.3 t70 -39.09 -30.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER -105.41 -67.31 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.413 1.071 . . . . 0.0 109.312 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.456 HD13 ' CG ' ' A' ' 44' ' ' MET . 78.5 mt -42.44 -54.86 3.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 t70 68.92 11.46 8.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.279 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.577 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -93.62 -13.73 8.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.577 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 12.5 t0 88.38 -171.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.9 p -90.8 -1.44 57.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.561 1.163 . . . . 0.0 109.976 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.95 -68.06 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.51 ' OG ' ' CG1' ' A' ' 19' ' ' VAL . 9.8 t -63.62 -47.22 82.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.992 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.458 ' SD ' ' CE2' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -48.39 -33.64 9.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -61.84 -33.94 60.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.441 1.088 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.5 -54.27 8.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 110.326 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.492 HG13 ' CG2' ' A' ' 19' ' ' VAL . 3.2 mt -40.41 -46.08 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.41 -46.11 61.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -48.51 -27.38 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.559 1.162 . . . . 0.0 109.247 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 54' ' ' LYS . 57.7 mt-30 -87.7 -60.35 1.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.272 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -51.66 -38.89 56.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.354 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.446 ' HA ' ' CG2' ' A' ' 57' ' ' VAL . 20.1 mt-10 -73.84 -2.97 25.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.102 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.32 -63.76 1.4 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' GLN . 23.3 mttt -44.0 -40.85 5.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -104.18 -43.47 5.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 102.95 7.12 44.84 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.523 1.139 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.446 ' CG2' ' HA ' ' A' ' 52' ' ' GLU . 15.3 m -43.62 149.74 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.784 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.28 97.22 9.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.152 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.471 HD12 ' CD1' ' A' ' 77' ' ' ILE . 45.8 mt -146.78 74.62 12.25 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 169.83 21.75 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.494 1.787 . . . . 0.0 111.038 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.25 -40.51 77.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -53.37 -19.18 3.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.613 ' OD1' ' CE2' ' A' ' 76' ' ' TYR . 0.3 OUTLIER -112.39 -34.79 5.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.231 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.469 HD13 ' CZ ' ' A' ' 33' ' ' PHE . 0.8 OUTLIER -60.42 -15.48 26.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.67 -36.89 59.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.25 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -78.7 -47.31 7.96 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.663 ' CD2' ' CD2' ' A' ' 76' ' ' TYR . 26.8 mt -39.45 119.6 0.96 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 0.788 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.74 -37.92 4.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.258 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 42.8 p -135.67 168.99 18.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 110.374 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 74' ' ' VAL . 12.4 t -52.26 -53.7 17.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -44.34 -37.71 4.81 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.48 1.112 . . . . 0.0 110.972 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -80.64 -38.45 29.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 0.784 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.478 ' HA ' ' CD1' ' A' ' 67' ' ' LEU . 35.2 t -70.06 -15.55 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.251 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.533 ' CG1' ' CD1' ' A' ' 8' ' ' ILE . 96.7 t -97.27 -55.11 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.582 1.176 . . . . 0.0 109.236 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 79' ' ' LYS . . . -48.92 -54.8 13.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.244 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.663 ' CD2' ' CD2' ' A' ' 67' ' ' LEU . 1.8 m-30 -43.4 -28.39 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.471 ' CD1' HD12 ' A' ' 59' ' ' ILE . 1.8 mt -80.4 -76.24 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.354 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -49.69 -53.33 25.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 110.236 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 75' ' ' ALA . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.486 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.44 -0.207 . . . . 0.0 110.44 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.486 ' N ' ' CG2' ' A' ' 4' ' ' THR . 5.0 tp60 -48.14 -69.96 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.503 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -48.44 -21.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.36 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.41 ' CD ' ' OH ' ' A' ' 55' ' ' TYR . 1.0 OUTLIER -74.57 -46.94 35.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 110.291 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.528 ' CD1' ' CG1' ' A' ' 74' ' ' VAL . 6.0 mt -88.14 -3.54 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.47 ' CD1' ' HG3' ' A' ' 5' ' ' GLN . 2.9 mt -105.15 -42.01 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 6' ' ' GLU . . . -92.74 -36.04 13.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.34 -42.99 72.46 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.414 ' HB ' ' O ' ' A' ' 8' ' ' ILE . 0.8 OUTLIER -75.22 -53.38 16.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 109.343 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 9' ' ' ILE . . . -42.53 -45.96 4.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -58.9 -44.86 91.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.579 1.174 . . . . 0.0 110.282 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 12' ' ' ILE . 14.4 mt -66.06 -42.58 91.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.462 ' CG2' ' OG1' ' A' ' 20' ' ' THR . 5.6 mt -53.58 -34.36 23.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.426 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 0.7 OUTLIER -73.12 -0.03 12.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.16 . . . . 0.0 110.28 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -105.35 -45.01 4.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.424 1.077 . . . . 0.0 110.41 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.524 ' CG1' ' OG ' ' A' ' 43' ' ' SER . 2.8 t -83.42 -67.62 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.6 1.188 . . . . 0.0 109.354 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.462 ' OG1' ' CG2' ' A' ' 16' ' ' ILE . 70.3 p -74.4 -22.82 58.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.59 1.181 . . . . 0.0 110.414 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.61 23.47 77.85 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.557 1.16 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.426 ' O ' ' CB ' ' A' ' 17' ' ' GLU . 48.8 mt -83.01 163.56 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.462 0.742 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.95 154.32 93.9 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.355 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -49.35 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.485 1.781 . . . . 0.0 111.049 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.47 -23.47 64.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 109.946 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -61.35 -42.41 98.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.251 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.482 ' N ' ' CD1' ' A' ' 27' ' ' ILE . 0.6 OUTLIER -64.85 137.62 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.416 ' C ' ' H ' ' A' ' 30' ' ' GLU . 1.5 p -147.93 164.46 22.23 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.408 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.93 43.05 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.537 1.809 . . . . 0.0 111.038 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.416 ' H ' ' C ' ' A' ' 28' ' ' THR . 4.1 pt-20 -140.31 8.74 2.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.75 164.63 21.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.591 1.182 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.556 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -127.02 12.31 7.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.384 1.053 . . . . 0.0 109.981 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.556 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.1 t80 79.36 -31.5 0.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 110.965 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.478 ' CG2' ' HA ' ' A' ' 40' ' ' ASP . 1.1 t -140.15 -57.73 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.424 ' CB ' ' HB3' ' A' ' 32' ' ' SER . 13.6 t0 -38.78 -31.02 0.05 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -107.16 -66.78 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.462 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 71.6 mt -43.52 -53.89 5.24 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER 65.72 16.35 10.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.564 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -99.7 -14.52 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.564 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 2.3 t70 87.14 -170.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.8 p -90.08 4.75 49.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 110.037 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.51 -69.83 0.34 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.524 ' OG ' ' CG1' ' A' ' 19' ' ' VAL . 21.8 t -62.7 -48.06 80.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.965 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.462 ' SD ' ' CD1' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -48.27 -31.9 6.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 111.021 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.2 t -64.13 -31.93 55.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.355 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 43' ' ' SER . 0.0 OUTLIER -75.77 -54.47 6.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.309 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.501 HG13 ' CG2' ' A' ' 19' ' ' VAL . 3.5 mt -41.68 -40.76 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.496 1.122 . . . . 0.0 109.239 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.494 ' CB ' ' OE1' ' A' ' 52' ' ' GLU . . . -75.53 -49.7 17.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -47.51 -26.6 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 54' ' ' LYS . 52.1 mt-30 -87.8 -59.72 2.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -51.27 -39.75 57.43 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.494 ' OE1' ' CB ' ' A' ' 48' ' ' ALA . 4.9 mt-10 -74.35 -0.46 17.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.369 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.7 -64.69 1.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.258 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 50' ' ' GLN . 7.7 mtpp -44.65 -41.39 6.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.41 ' OH ' ' CD ' ' A' ' 7' ' ' GLU . 1.2 m-85 -104.4 -45.99 4.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 98.08 34.18 5.49 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.457 ' CG2' ' HG3' ' A' ' 52' ' ' GLU . 5.4 m -70.91 157.95 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.606 0.827 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.61 98.75 10.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.465 HG22 ' CD1' ' A' ' 67' ' ' LEU . 28.5 mt -150.76 69.13 8.5 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 169.47 22.54 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.527 1.804 . . . . 0.0 111.021 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.07 -40.32 67.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -50.82 -21.66 1.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.506 ' OD1' ' CE2' ' A' ' 76' ' ' TYR . 0.6 OUTLIER -114.38 -34.86 5.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.69 -16.99 18.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.362 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.33 -42.28 37.31 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.71 -43.08 37.02 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.596 ' CD2' ' CD2' ' A' ' 76' ' ' TYR . 19.3 mt -39.57 117.03 0.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 0.766 . . . . 0.0 109.298 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.33 -40.05 4.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.301 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.1 p -136.57 168.71 18.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 110.454 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 74' ' ' VAL . 11.5 t -51.27 -47.91 33.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -50.48 -37.88 33.76 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.539 1.15 . . . . 0.0 111.004 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -80.05 -35.68 36.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.756 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.465 ' CG1' HD13 ' A' ' 67' ' ' LEU . 21.0 t -73.52 -15.2 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.362 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.528 ' CG1' ' CD1' ' A' ' 8' ' ' ILE . 95.9 t -96.41 -58.14 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 79' ' ' LYS . . . -46.0 -56.1 5.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.596 ' CD2' ' CD2' ' A' ' 67' ' ' LEU . 1.6 m-30 -42.42 -27.8 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.429 ' CD1' HD13 ' A' ' 59' ' ' ILE . 4.4 mt -82.83 -76.48 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -49.57 -53.86 21.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.257 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 75' ' ' ALA . 2.3 mmmp? . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.472 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.454 -0.202 . . . . 0.0 110.454 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.472 ' N ' ' CG2' ' A' ' 4' ' ' THR . 5.5 tp60 -49.76 -70.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.345 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -49.37 -20.96 0.76 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.083 . . . . 0.0 110.321 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.7 -42.78 57.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.261 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.534 ' CD1' ' CG1' ' A' ' 74' ' ' VAL . 6.0 mt -93.52 -4.3 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.485 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 2.9 mt -105.05 -40.73 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 6' ' ' GLU . . . -93.89 -34.35 13.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.95 -40.61 62.74 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.462 1.102 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.1 mt -78.67 -53.38 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.451 0.736 . . . . 0.0 109.242 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' A' ' 9' ' ' ILE . . . -42.4 -47.51 4.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -58.67 -47.03 85.88 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.57 1.169 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.2 mt -62.96 -41.99 94.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.174 . . . . 0.0 109.354 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.45 ' O ' ' OG1' ' A' ' 20' ' ' THR . 5.6 mt -53.78 -34.23 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -73.51 0.55 12.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.254 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -106.21 -43.71 4.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.226 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.514 ' CG2' HG13 ' A' ' 47' ' ' ILE . 2.6 t -84.39 -66.55 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' ' 16' ' ' ILE . 65.8 p -75.39 -26.96 58.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.365 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.09 20.99 74.8 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.467 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 49.1 mt -80.88 166.95 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.557 0.798 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.467 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -70.6 151.34 95.47 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.254 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -50.1 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.484 1.781 . . . . 0.0 110.961 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.01 -25.48 67.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 110.042 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -62.22 -43.98 97.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.333 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.466 ' CG2' ' HB1' ' A' ' 13' ' ' ALA . 0.6 OUTLIER -62.24 138.6 22.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.361 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.419 ' C ' ' H ' ' A' ' 30' ' ' GLU . 0.8 OUTLIER -151.15 166.18 15.69 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.394 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.473 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 18.1 Cg_endo -75.06 42.48 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 0.0 110.944 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.419 ' H ' ' C ' ' A' ' 28' ' ' THR . 3.2 mm-40 -137.56 6.59 2.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.349 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.409 ' NZ ' HD23 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -67.42 164.43 18.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.103 . . . . 0.0 109.326 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.573 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -126.03 14.16 7.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.573 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.5 t80 80.39 -37.46 0.15 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.47 ' CG2' ' HA ' ' A' ' 40' ' ' ASP . 1.1 t -137.55 -56.11 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.469 ' CB ' ' HB3' ' A' ' 32' ' ' SER . 11.2 t0 -38.13 -31.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -106.17 -67.63 0.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.409 HD23 ' NZ ' ' A' ' 31' ' ' LYS . 91.0 mt -42.93 -53.68 4.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.9 OUTLIER 65.24 15.51 10.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.569 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -96.73 -15.78 7.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.569 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 3.4 t70 88.18 -170.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.5 p -90.1 1.01 56.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.028 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.02 -70.25 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.512 ' OG ' ' CG1' ' A' ' 19' ' ' VAL . 14.6 t -63.0 -46.36 88.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.018 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.33 -32.15 10.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.2 t -63.13 -34.1 64.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.51 -54.95 7.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.093 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.514 HG13 ' CG2' ' A' ' 19' ' ' VAL . 3.9 mt -43.93 -37.59 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.26 -47.19 18.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -47.61 -28.02 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 54' ' ' LYS . 41.1 mt-30 -88.09 -59.61 2.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.411 1.069 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.3 m -51.85 -37.77 53.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.403 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -75.31 -2.69 29.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.632 1.208 . . . . 0.0 110.347 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.48 -62.55 1.57 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' GLN . 6.5 mtpp -42.7 -40.78 2.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 0.0 109.323 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -103.68 -38.84 6.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.42 31.26 9.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 30.8 m -75.34 152.46 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 0.771 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.5 108.83 21.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.47 ' CG2' HD11 ' A' ' 67' ' ' LEU . 4.5 mt -144.3 63.87 11.67 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.431 ' HD3' ' N ' ' A' ' 59' ' ' ILE . 18.4 Cg_endo -75.0 173.22 14.89 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.49 1.784 . . . . 0.0 111.04 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.421 ' C ' ' N ' ' A' ' 63' ' ' ASP . 0.4 OUTLIER -52.43 -39.59 61.19 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -41.97 -27.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.295 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.702 ' CB ' ' CE2' ' A' ' 76' ' ' TYR . 0.2 OUTLIER -120.57 -45.41 2.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.259 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -46.1 -26.07 0.69 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.276 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.41 -43.64 63.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . -74.77 -47.09 15.53 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.562 1.164 . . . . 0.0 110.964 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.483 ' HB3' ' CG2' ' A' ' 73' ' ' VAL . 27.2 mt -39.29 128.21 1.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.97 -48.01 2.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 110.23 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 73.5 p -125.63 168.88 13.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.409 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 74' ' ' VAL . 14.4 t -51.22 -44.09 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.404 ' O ' ' HB2' ' A' ' 75' ' ' ALA . . . -54.88 -33.58 56.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -85.31 -28.73 25.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.267 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.483 ' CG2' ' HB3' ' A' ' 67' ' ' LEU . 14.2 t -82.87 -13.5 12.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.422 1.077 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.534 ' CG1' ' CD1' ' A' ' 8' ' ' ILE . 90.0 t -97.33 -51.54 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 79' ' ' LYS . . . -44.03 -58.13 2.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.702 ' CE2' ' CB ' ' A' ' 63' ' ' ASP . 7.8 t80 -46.33 -25.04 0.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 111.028 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.416 ' N ' ' O ' ' A' ' 74' ' ' VAL . 4.8 mt -80.05 -75.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 79' ' ' LYS . 40.2 mt-30 -54.35 -52.32 61.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 75' ' ' ALA . 10.4 mmmt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.196 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.413 HG22 ' N ' ' A' ' 5' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.426 -0.213 . . . . 0.0 110.426 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.427 ' O ' ' N ' ' A' ' 9' ' ' ILE . 5.8 tp60 -43.11 -73.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -48.89 -21.91 0.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.334 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 5' ' ' GLN . 1.6 mm-40 -74.96 -42.2 58.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.52 1.137 . . . . 0.0 110.266 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.547 ' CD1' ' CG1' ' A' ' 74' ' ' VAL . 4.1 mt -93.7 -3.77 10.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 109.339 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.448 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 2.5 mt -105.94 -40.94 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 6' ' ' GLU . . . -93.39 -35.05 13.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.248 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.72 -40.17 65.69 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.47 1.106 . . . . 0.0 110.985 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -78.14 -53.21 14.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.436 0.727 . . . . 0.0 109.36 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.457 ' HB1' ' CG2' ' A' ' 27' ' ' ILE . . . -42.65 -48.29 5.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.55 -45.95 84.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.272 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.3 mt -64.16 -43.56 97.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.39 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.452 ' O ' ' OG1' ' A' ' 20' ' ' THR . 4.8 mt -53.31 -34.87 23.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.409 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 0.8 OUTLIER -73.38 0.33 12.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.597 1.186 . . . . 0.0 110.297 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -106.31 -45.74 4.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.528 ' CG1' ' OG ' ' A' ' 43' ' ' SER . 2.8 t -82.76 -67.6 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 16' ' ' ILE . 36.6 p -73.21 -28.13 62.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 110.395 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.49 22.61 66.95 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.419 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 44.2 mt -82.7 165.63 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.247 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.419 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 0.4 OUTLIER -69.55 151.79 96.52 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -49.29 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.428 1.752 . . . . 0.0 110.966 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.13 -23.97 65.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.995 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -62.5 -43.83 97.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.231 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.457 ' CG2' ' HB1' ' A' ' 13' ' ' ALA . 0.7 OUTLIER -62.99 132.58 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.424 ' C ' ' H ' ' A' ' 30' ' ' GLU . 0.8 OUTLIER -147.25 166.23 16.73 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.431 1.082 . . . . 0.0 110.406 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 42.22 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.536 1.809 . . . . 0.0 111.036 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.424 ' H ' ' C ' ' A' ' 28' ' ' THR . 1.7 mt-10 -137.56 6.66 2.75 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.495 1.122 . . . . 0.0 110.258 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.64 164.62 24.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.578 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -124.16 13.99 9.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.99 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.578 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.3 t80 80.72 -37.1 0.13 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.468 ' CG2' ' HA ' ' A' ' 40' ' ' ASP . 1.1 t -137.74 -56.09 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.47 ' CB ' ' HB3' ' A' ' 32' ' ' SER . 3.3 t70 -37.64 -32.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -105.75 -67.56 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.6 mt -41.32 -53.71 3.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 65.35 14.64 9.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.588 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -95.75 -20.78 5.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.588 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 6.9 t0 89.27 -170.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.8 p -88.48 3.19 51.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 110.083 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.73 -70.77 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.419 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.528 ' OG ' ' CG1' ' A' ' 19' ' ' VAL . 1.7 t -64.95 -45.8 84.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.55 1.156 . . . . 0.0 110.036 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.418 ' SD ' ' CE1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -50.19 -34.5 22.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.953 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -59.34 -37.01 67.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.44 -54.19 10.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.145 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.512 HG13 ' CG2' ' A' ' 19' ' ' VAL . 3.2 mt -44.03 -34.98 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.92 -46.67 13.73 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -50.31 -24.34 2.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 54' ' ' LYS . 40.3 mt-30 -91.14 -59.99 2.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.4 m -51.93 -37.77 53.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.421 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.479 ' CG ' HG23 ' A' ' 57' ' ' VAL . 14.4 mt-10 -76.25 -2.38 31.11 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.441 1.088 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.53 -62.0 1.66 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' GLN . 1.8 mtpp -41.69 -42.02 2.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.417 1.073 . . . . 0.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -104.89 -50.3 3.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 111.039 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 110.06 18.67 8.6 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.453 1.096 . . . . 0.0 111.03 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.479 HG23 ' CG ' ' A' ' 52' ' ' GLU . 12.9 m -54.06 149.07 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 0.748 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.81 102.74 13.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.448 ' CD1' HD11 ' A' ' 77' ' ' ILE . 49.8 mt -143.81 73.3 16.87 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.05 170.85 19.5 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.464 1.771 . . . . 0.0 110.945 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.411 ' C ' ' N ' ' A' ' 63' ' ' ASP . 0.2 OUTLIER -56.45 -40.15 74.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.69 -24.46 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.68 ' CB ' ' CE2' ' A' ' 76' ' ' TYR . 0.2 OUTLIER -115.7 -39.81 3.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.27 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.447 HD11 ' CZ ' ' A' ' 33' ' ' PHE . 0.7 OUTLIER -53.35 -20.91 4.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.82 -41.76 59.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -76.29 -45.96 13.67 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.43 1.081 . . . . 0.0 110.963 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.485 HD11 ' CG1' ' A' ' 73' ' ' VAL . 19.3 mt -39.57 118.51 0.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 0.751 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.69 -38.97 5.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 45.4 p -131.63 169.84 15.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 110.421 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.494 ' O ' ' N ' ' A' ' 74' ' ' VAL . 7.7 t -56.44 -51.16 68.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.262 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -44.55 -32.76 2.97 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.52 1.137 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -86.52 -34.65 19.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.485 ' CG1' HD11 ' A' ' 67' ' ' LEU . 16.7 t -76.8 -11.29 13.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.385 1.053 . . . . 0.0 109.382 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.547 ' CG1' ' CD1' ' A' ' 8' ' ' ILE . 74.8 t -100.61 -57.64 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.486 ' HB1' ' CD ' ' A' ' 79' ' ' LYS . . . -45.27 -54.61 6.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 109.36 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.68 ' CE2' ' CB ' ' A' ' 63' ' ' ASP . 2.2 t80 -47.83 -24.1 0.91 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.448 HD11 ' CD1' ' A' ' 59' ' ' ILE . 12.2 mt -84.11 -68.16 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -59.11 -60.18 4.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.486 ' CD ' ' HB1' ' A' ' 75' ' ' ALA . 1.7 mtpt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.0 t . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -58.61 -64.12 1.04 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.571 1.169 . . . . 0.0 110.32 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.539 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -51.99 -18.47 1.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.073 . . . . 0.0 110.333 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.42 -44.1 46.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.504 ' CD1' HG13 ' A' ' 74' ' ' VAL . 5.8 mt -92.92 -4.23 10.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.472 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 2.7 mt -105.37 -41.67 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.597 1.186 . . . . 0.0 109.23 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.539 ' CB ' ' O ' ' A' ' 6' ' ' GLU . . . -92.96 -34.78 13.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.565 1.166 . . . . 0.0 109.36 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.37 -39.54 70.12 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.546 1.154 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.1 mt -79.66 -53.48 13.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 0.764 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 9' ' ' ILE . . . -42.46 -47.0 4.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -59.64 -46.02 90.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.354 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.408 HG22 ' CG1' ' A' ' 47' ' ' ILE . 26.5 mt -63.45 -40.49 89.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.425 ' HA ' ' CD1' ' A' ' 47' ' ' ILE . 5.0 mt -57.16 -34.7 46.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.499 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 1.3 tm-20 -75.09 -0.3 18.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.259 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -104.58 -45.22 4.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 110.271 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.509 ' CG1' ' OG ' ' A' ' 43' ' ' SER . 2.5 t -83.51 -68.18 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.404 HG21 ' OG ' ' A' ' 43' ' ' SER . 19.8 p -72.01 -27.36 62.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.557 1.16 . . . . 0.0 110.418 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.57 21.63 68.9 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.549 1.156 . . . . 0.0 111.062 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.499 ' O ' ' CB ' ' A' ' 17' ' ' GLU . 44.2 mt -81.53 167.2 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.445 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 0.3 OUTLIER -71.6 151.58 93.69 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.286 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -49.33 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.487 1.782 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.52 -23.5 65.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.971 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -62.76 -43.45 98.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.339 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.453 ' N ' ' CD1' ' A' ' 27' ' ' ILE . 0.7 OUTLIER -62.7 142.21 16.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.26 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.414 ' C ' ' H ' ' A' ' 30' ' ' GLU . 0.8 OUTLIER -156.88 166.39 16.73 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 0.0 110.389 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 43.07 0.92 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.473 1.775 . . . . 0.0 111.027 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.414 ' H ' ' C ' ' A' ' 28' ' ' THR . 2.6 mm-40 -137.11 6.19 2.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.224 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.409 ' O ' ' CG2' ' A' ' 69' ' ' THR . 0.4 OUTLIER -67.81 167.68 12.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.566 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -132.93 20.28 4.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.995 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.612 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.5 OUTLIER 80.09 -40.12 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.905 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.485 ' CG2' ' HA ' ' A' ' 40' ' ' ASP . 1.0 OUTLIER -138.23 -54.61 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.477 ' CB ' ' HB3' ' A' ' 32' ' ' SER . 4.9 t70 -37.96 -31.7 0.05 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER -106.67 -67.63 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.465 HD11 ' CG ' ' A' ' 44' ' ' MET . 81.9 mt -44.04 -52.52 7.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.5 OUTLIER 63.45 14.37 7.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.386 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.596 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -93.99 -20.93 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.596 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 7.9 t0 89.58 -172.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.511 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 83.1 p -87.8 2.83 50.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.994 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.28 -71.7 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.509 ' OG ' ' CG1' ' A' ' 19' ' ' VAL . 0.9 OUTLIER -66.46 -40.42 89.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.993 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.612 ' SD ' ' CD1' ' A' ' 33' ' ' PHE . 6.3 mtm -53.13 -34.99 59.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.59 1.181 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.511 ' CG2' ' O ' ' A' ' 41' ' ' SER . 2.0 t -59.64 -38.17 74.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.407 ' CB ' HG13 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -69.87 -54.89 11.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 110.292 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.495 HG13 ' CG2' ' A' ' 19' ' ' VAL . 2.4 mt -47.04 -31.01 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.456 ' CB ' ' OE1' ' A' ' 52' ' ' GLU . . . -84.9 -48.1 9.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -49.27 -24.24 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 54' ' ' LYS . 44.9 mt-30 -90.1 -60.41 1.94 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.343 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -51.61 -39.19 57.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.412 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.469 ' CG ' HG21 ' A' ' 57' ' ' VAL . 4.8 mt-10 -74.45 -2.31 24.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.599 1.187 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 54' ' ' LYS . 0.5 OUTLIER -116.15 -61.19 1.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 50' ' ' GLN . 13.0 mttt -40.11 -41.4 1.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -106.67 -47.9 3.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 106.38 26.93 5.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.469 HG21 ' CG ' ' A' ' 52' ' ' GLU . 18.7 m -63.01 149.95 9.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.479 0.753 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.34 113.82 27.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 27.2 mt -151.2 73.65 8.4 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 170.6 20.06 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.518 1.799 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.78 -40.74 80.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.226 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -50.09 -22.06 1.51 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 110.352 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.562 ' CG ' ' CZ ' ' A' ' 76' ' ' TYR . 0.1 OUTLIER -113.39 -34.07 5.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.562 HD11 ' CZ ' ' A' ' 33' ' ' PHE . 0.8 OUTLIER -58.85 -16.44 17.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.48 -26.44 60.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.253 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.08 -58.7 1.14 Allowed Glycine 0 CA--C 1.528 0.892 0 O-C-N 124.488 1.118 . . . . 0.0 110.973 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.489 ' CD1' ' HA ' ' A' ' 73' ' ' VAL . 11.0 mt -45.3 118.48 1.73 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.375 0.691 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.72 -56.55 2.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 110.3 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.417 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 78.3 p -97.56 174.01 6.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.354 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.428 ' O ' ' CG2' ' A' ' 74' ' ' VAL . 2.5 t -64.33 -36.95 78.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.72 -20.83 68.63 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -98.78 -30.46 12.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.782 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.489 ' HA ' ' CD1' ' A' ' 67' ' ' LEU . 34.3 t -84.59 -12.89 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.504 HG13 ' CD1' ' A' ' 8' ' ' ILE . 45.8 t -98.44 -47.15 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.53 ' O ' ' N ' ' A' ' 79' ' ' LYS . . . -44.56 -56.91 3.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 109.273 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.562 ' CZ ' ' CG ' ' A' ' 63' ' ' ASP . 5.6 t80 -49.18 -20.9 0.66 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.418 1.074 . . . . 0.0 110.989 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.461 ' N ' ' O ' ' A' ' 74' ' ' VAL . 3.2 mt -83.02 -67.22 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 79' ' ' LYS . 52.2 mt-30 -65.99 -51.98 53.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.53 ' N ' ' O ' ' A' ' 75' ' ' ALA . 18.1 mmtm . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.5 t . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.474 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 4.5 tp60 -50.79 -68.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.268 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.526 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -49.6 -20.62 0.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.287 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.442 ' CG ' ' OH ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -74.77 -45.88 40.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.276 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.48 HD12 ' CG1' ' A' ' 74' ' ' VAL . 5.0 mt -90.71 -2.91 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.486 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 2.8 mt -106.32 -42.04 6.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' A' ' 6' ' ' GLU . . . -92.94 -36.86 12.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.69 -42.91 78.21 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -75.6 -53.33 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 9' ' ' ILE . . . -42.24 -47.05 4.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.28 -47.35 81.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.345 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.421 HG22 ' NE2' ' A' ' 50' ' ' GLN . 49.2 mt -64.57 -43.85 96.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 109.242 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.491 ' O ' ' OG1' ' A' ' 20' ' ' THR . 7.6 mt -53.02 -36.39 24.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.498 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 4.6 tm-20 -72.01 -0.23 11.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -105.85 -45.79 4.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.358 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.512 ' CG2' HG13 ' A' ' 47' ' ' ILE . 2.5 t -83.18 -68.59 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' A' ' 16' ' ' ILE . 68.4 p -70.44 -27.95 64.66 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.553 1.158 . . . . 0.0 110.368 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.92 32.82 52.31 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.471 1.107 . . . . 0.0 111.042 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.498 ' O ' ' CB ' ' A' ' 17' ' ' GLU . 42.1 mt -93.95 166.95 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.513 0.772 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.455 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 1.7 mt-10 -69.42 153.08 96.15 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -50.06 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.382 1.727 . . . . 0.0 110.963 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.54 -22.27 63.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.985 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -65.29 -49.58 68.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 110.234 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.473 ' CG2' ' HB3' ' A' ' 13' ' ' ALA . 0.8 OUTLIER -55.38 120.34 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 p -126.55 164.37 34.86 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.46 1.1 . . . . 0.0 110.408 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 0.27 9.14 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.469 1.773 . . . . 0.0 110.959 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.57 3.33 52.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.99 169.82 3.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.559 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -126.42 9.29 7.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.967 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.559 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.0 OUTLIER 79.7 -36.04 0.15 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.468 ' CG2' ' HA ' ' A' ' 40' ' ' ASP . 1.1 t -135.94 -57.04 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.468 ' CB ' ' HB3' ' A' ' 32' ' ' SER . 4.3 t0 -39.63 -30.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.354 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.438 ' N ' ' C ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER -105.43 -68.15 0.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.468 HD23 ' CD1' ' A' ' 22' ' ' ILE . 97.7 mt -44.52 -56.33 4.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.8 OUTLIER 70.08 15.07 7.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.579 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -94.59 -18.57 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.333 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.579 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 3.3 t70 88.96 -170.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.524 1.14 . . . . 0.0 109.238 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.4 m -89.53 3.87 51.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.998 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.54 -65.89 0.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.172 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.512 ' OG ' ' CG1' ' A' ' 19' ' ' VAL . 0.9 OUTLIER -63.38 -50.75 68.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.572 ' SD ' ' CG2' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -42.53 -42.89 3.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.6 t -52.88 -38.13 27.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 43' ' ' SER . 0.0 OUTLIER -72.81 -53.05 12.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.512 HG13 ' CG2' ' A' ' 19' ' ' VAL . 2.7 mt -45.92 -32.88 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.402 ' C ' ' N ' ' A' ' 50' ' ' GLN . . . -79.22 -51.36 9.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' ' 50' ' ' GLN . 0.3 OUTLIER -46.98 -25.84 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.076 . . . . 0.0 109.27 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 54' ' ' LYS . 40.8 mt-30 -90.02 -59.65 2.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.557 1.161 . . . . 0.0 110.239 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.9 m -52.05 -37.02 52.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.421 1.076 . . . . 0.0 110.421 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.29 0.85 20.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.348 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.45 -63.12 1.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 50' ' ' GLN . 7.4 mttp -49.07 -41.08 34.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.442 ' OH ' ' CG ' ' A' ' 7' ' ' GLU . 0.6 OUTLIER -105.08 -44.02 4.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.932 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.5 26.57 10.73 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.525 1.14 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.8 m -55.9 -172.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.467 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 0.5 OUTLIER -135.48 107.74 7.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.467 ' CG1' ' O ' ' A' ' 58' ' ' LYS . 24.0 mt -154.79 83.9 3.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 169.23 23.05 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.542 1.812 . . . . 0.0 110.991 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.67 -40.58 97.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -55.41 -17.77 5.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.354 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.598 ' CG ' ' CE2' ' A' ' 76' ' ' TYR . 0.4 OUTLIER -111.37 -32.74 6.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.444 HD22 ' CG2' ' A' ' 59' ' ' ILE . 0.6 OUTLIER -58.64 -17.11 19.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.33 -33.41 55.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -82.0 -44.1 7.83 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.641 ' CD2' ' CD2' ' A' ' 76' ' ' TYR . 11.5 mt -39.88 111.97 0.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 0.778 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.35 -38.12 5.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.335 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.458 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 46.8 p -136.34 175.7 9.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.458 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 74' ' ' VAL . 5.3 t -57.75 -47.66 85.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -50.83 -39.13 38.84 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -80.62 -30.71 36.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 0.782 . . . . 0.0 109.347 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.476 ' CG1' HD11 ' A' ' 67' ' ' LEU . 44.2 t -78.43 -13.62 13.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.48 ' CG1' HD12 ' A' ' 8' ' ' ILE . 93.5 t -97.03 -56.74 4.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 79' ' ' LYS . . . -46.86 -56.26 6.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.641 ' CD2' ' CD2' ' A' ' 67' ' ' LEU . 1.9 m-30 -42.29 -28.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 110.951 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.439 ' CD1' HD11 ' A' ' 59' ' ' ILE . 5.3 mt -81.65 -77.42 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.414 1.071 . . . . 0.0 109.355 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 79' ' ' LYS . 45.9 mt-30 -49.33 -53.22 23.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.361 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.467 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 5.4 tp60 -53.21 -67.96 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.242 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.529 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -50.77 -19.83 1.08 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.442 1.089 . . . . 0.0 110.338 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.79 -44.18 50.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.525 ' CD1' ' CG1' ' A' ' 74' ' ' VAL . 5.4 mt -92.79 -3.69 10.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.467 ' CD1' ' HG3' ' A' ' 5' ' ' GLN . 2.8 mt -106.03 -42.84 6.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 109.201 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 6' ' ' GLU . . . -91.74 -34.38 14.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.456 1.097 . . . . 0.0 109.342 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -71.09 -42.21 59.17 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 0.0 110.954 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -74.33 -53.26 17.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.506 0.768 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.78 -46.2 5.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -56.92 -47.89 79.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.336 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.6 mt -64.45 -42.78 96.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.463 ' O ' ' OG1' ' A' ' 20' ' ' THR . 6.0 mt -53.09 -35.85 23.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.445 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 2.0 tm-20 -72.55 0.4 10.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.356 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.0 -42.89 4.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.507 ' CG1' ' OG ' ' A' ' 43' ' ' SER . 2.8 t -84.82 -65.06 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' A' ' 16' ' ' ILE . 68.8 p -76.08 -25.77 55.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.387 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.55 23.4 73.17 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.618 1.198 . . . . 0.0 111.005 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.445 ' O ' ' CB ' ' A' ' 17' ' ' GLU . 54.8 mt -84.66 165.34 2.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 0.784 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.42 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 3.5 mt-10 -68.36 152.93 96.25 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.329 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -49.94 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.477 1.777 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.16 -23.88 65.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.037 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -60.52 -41.79 95.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.316 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.487 ' N ' ' CD1' ' A' ' 27' ' ' ILE . 0.7 OUTLIER -64.59 135.36 28.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.415 ' C ' ' H ' ' A' ' 30' ' ' GLU . 1.0 OUTLIER -145.07 165.16 23.23 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 110.431 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 43.27 0.94 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.52 1.8 . . . . 0.0 111.032 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.415 ' H ' ' C ' ' A' ' 28' ' ' THR . 0.4 OUTLIER -141.11 9.32 2.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 110.322 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.83 165.98 18.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.204 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.541 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -129.26 12.2 6.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.101 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.541 ' CB ' ' O ' ' A' ' 32' ' ' SER . 0.7 OUTLIER 78.18 -28.55 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 111.023 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.469 ' CG2' ' HA ' ' A' ' 40' ' ' ASP . 0.9 OUTLIER -141.07 -58.56 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.426 ' N ' HG13 ' A' ' 34' ' ' VAL . 7.7 t70 -39.11 -31.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.442 ' N ' ' C ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -106.65 -65.83 1.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 81.3 mt -44.98 -52.5 8.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 34' ' ' VAL . 3.7 t0 64.03 16.41 9.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.555 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -99.21 -17.03 6.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.555 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 5.6 t70 87.14 -170.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.155 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.505 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 19.7 p -88.53 5.08 44.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 110.033 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.53 -68.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.25 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.507 ' OG ' ' CG1' ' A' ' 19' ' ' VAL . 23.1 t -64.67 -46.94 80.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.004 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.54 ' SD ' ' CE1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -46.7 -36.87 7.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 41' ' ' SER . 2.6 t -60.8 -33.89 57.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.433 ' HB3' ' CG1' ' A' ' 19' ' ' VAL . 0.2 OUTLIER -73.04 -54.03 9.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.505 HG13 ' CG2' ' A' ' 19' ' ' VAL . 3.8 mt -44.11 -40.71 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.406 ' C ' ' N ' ' A' ' 50' ' ' GLN . . . -72.67 -50.49 24.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 109.237 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -47.13 -26.07 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 54' ' ' LYS . 45.4 mt-30 -89.06 -59.86 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.9 m -51.65 -38.55 55.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 110.373 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.446 ' HG3' ' CG2' ' A' ' 57' ' ' VAL . 1.0 OUTLIER -74.99 -1.4 22.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.376 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.85 -63.25 1.45 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 0.0 109.334 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 50' ' ' GLN . 24.7 mttt -46.28 -42.14 14.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -103.89 -49.2 3.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.52 19.08 11.67 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.526 1.141 . . . . 0.0 111.036 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.446 ' CG2' ' HG3' ' A' ' 52' ' ' GLU . 2.7 m -57.45 156.32 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.76 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.99 101.12 12.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.477 HD11 ' CD1' ' A' ' 77' ' ' ILE . 43.0 mt -149.92 70.02 9.31 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 169.07 23.44 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.483 1.781 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.53 -40.81 65.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -52.88 -19.9 2.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.604 ' CG ' ' CD2' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -113.19 -33.94 5.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.273 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.74 -15.36 28.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.36 -38.68 34.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.125 . . . . 0.0 109.248 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -79.17 -43.92 10.24 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.525 1.141 . . . . 0.0 111.047 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.624 ' CD2' ' CD2' ' A' ' 76' ' ' TYR . 13.2 mt -39.8 109.76 0.12 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 0.754 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.36 -38.45 6.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 110.261 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.456 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 46.7 p -135.94 173.72 11.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 110.408 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 74' ' ' VAL . 6.7 t -56.47 -49.32 77.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -49.36 -37.5 25.19 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.47 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 1.9 t70 -81.83 -26.78 34.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 0.729 . . . . 0.0 109.231 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.474 ' CG1' HD11 ' A' ' 67' ' ' LEU . 29.8 t -82.99 -13.55 12.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.372 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.525 ' CG1' ' CD1' ' A' ' 8' ' ' ILE . 92.3 t -96.87 -52.9 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.25 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.521 ' O ' ' N ' ' A' ' 79' ' ' LYS . . . -52.03 -55.5 20.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.624 ' CD2' ' CD2' ' A' ' 67' ' ' LEU . 1.8 m-85 -42.07 -23.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 111.008 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.477 ' CD1' HD11 ' A' ' 59' ' ' ILE . 4.4 mt -82.59 -70.97 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 79' ' ' LYS . 36.0 mt-30 -61.41 -52.17 65.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.521 ' N ' ' O ' ' A' ' 75' ' ' ALA . 4.0 mmtm . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.423 HG23 ' N ' ' A' ' 5' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.421 -0.214 . . . . 0.0 110.421 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.467 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 4.8 tp60 -48.66 -70.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.363 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.519 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -49.06 -20.58 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.414 ' N ' ' C ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -74.62 -43.43 55.47 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 110.251 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.51 ' CD1' ' CG1' ' A' ' 74' ' ' VAL . 4.1 mt -93.47 -3.33 10.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.486 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 2.9 mt -106.13 -40.53 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 6' ' ' GLU . . . -94.03 -36.94 11.89 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.96 -39.98 84.67 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.561 1.163 . . . . 0.0 110.956 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.466 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.1 mt -79.15 -53.07 14.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.481 0.753 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 9' ' ' ILE . . . -40.39 -48.64 2.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -60.58 -42.78 97.41 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.473 1.108 . . . . 0.0 110.267 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.466 ' N ' ' O ' ' A' ' 12' ' ' ILE . 66.4 mt -65.3 -46.57 90.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.458 ' O ' ' OG1' ' A' ' 20' ' ' THR . 31.6 mt -53.6 -29.97 17.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 22' ' ' ILE . 0.5 OUTLIER -80.04 5.49 14.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -111.59 -45.24 3.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.505 ' CG1' ' OG ' ' A' ' 43' ' ' SER . 4.3 t -78.15 -59.7 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.254 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' A' ' 16' ' ' ILE . 29.3 p -85.08 -30.76 23.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 110.403 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.92 30.38 35.41 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.551 1.157 . . . . 0.0 111.055 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.498 ' O ' ' CG ' ' A' ' 17' ' ' GLU . 30.8 mt -90.03 165.83 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.766 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.477 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 0.5 OUTLIER -66.1 148.44 98.4 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.395 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -51.74 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.449 1.762 . . . . 0.0 110.9 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.58 -24.86 66.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.044 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -62.94 -43.87 97.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.345 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.413 ' N ' ' CD1' ' A' ' 27' ' ' ILE . 0.8 OUTLIER -60.15 131.44 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.41 ' C ' ' H ' ' A' ' 30' ' ' GLU . 1.0 OUTLIER -147.58 164.99 20.01 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.392 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 43.67 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.54 1.81 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.41 ' H ' ' C ' ' A' ' 28' ' ' THR . 3.1 mm-40 -133.98 -24.78 1.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.333 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -44.23 166.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.545 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -123.06 13.01 9.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.112 . . . . 0.0 109.982 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.545 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.1 t80 79.42 -30.39 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 111.043 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.478 ' CG2' ' HA ' ' A' ' 40' ' ' ASP . 1.1 t -139.79 -58.2 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 34' ' ' VAL . 8.5 t70 -37.94 -33.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -103.12 -67.69 0.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.337 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.494 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 60.5 mt -41.96 -53.5 3.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.5 OUTLIER 66.21 14.92 9.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.579 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -96.64 -17.43 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.579 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 9.7 t0 89.29 -171.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.499 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 17.0 p -87.35 -5.01 59.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 110.002 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -64.91 0.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.505 ' OG ' ' CG1' ' A' ' 19' ' ' VAL . 7.3 t -68.01 -49.88 58.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.164 . . . . 0.0 110.067 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.494 ' SD ' ' CD1' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -48.55 -30.32 5.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 41' ' ' SER . 1.4 t -64.42 -35.45 74.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.423 ' CB ' HG12 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -70.73 -56.01 7.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.285 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.478 HG13 ' CG2' ' A' ' 19' ' ' VAL . 1.3 mt -41.82 -43.88 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.463 ' CB ' ' OE1' ' A' ' 52' ' ' GLU . . . -69.66 -47.86 61.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -48.23 -24.57 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' A' ' 54' ' ' LYS . 42.1 mt-30 -90.58 -60.64 1.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.3 m -51.78 -37.41 51.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.077 . . . . 0.0 110.436 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.463 ' OE1' ' CB ' ' A' ' 48' ' ' ALA . 9.5 mt-10 -76.16 -2.22 30.03 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.407 1.067 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.57 -60.52 1.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 50' ' ' GLN . 4.0 mtpt -40.97 -41.44 1.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.57 ' CD1' HG11 ' A' ' 57' ' ' VAL . 31.7 t80 -107.73 -49.45 3.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.949 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 109.94 21.21 7.18 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.57 HG11 ' CD1' ' A' ' 55' ' ' TYR . 19.5 m -57.14 149.21 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.295 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.53 103.45 15.39 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.439 HG22 ' CD1' ' A' ' 67' ' ' LEU . 28.6 mt -148.1 73.64 11.07 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 0.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 169.32 22.87 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.478 1.778 . . . . 0.0 110.942 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.41 -40.76 75.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.359 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -50.14 -21.8 1.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.559 ' OD1' ' CD2' ' A' ' 76' ' ' TYR . 0.3 OUTLIER -113.82 -34.85 5.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.333 179.896 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.07 -18.89 10.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.29 -38.62 68.73 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.556 1.16 . . . . 0.0 109.335 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -75.09 -50.72 8.23 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.543 HD23 ' CD2' ' A' ' 76' ' ' TYR . 41.5 mt -39.44 119.73 0.98 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 0.776 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.92 -38.99 4.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.384 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 70.8 p -133.45 160.73 36.55 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.504 1.128 . . . . 0.0 110.341 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 74' ' ' VAL . 21.7 t -45.74 -52.78 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -46.45 -33.98 6.26 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.431 1.082 . . . . 0.0 111.058 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -84.01 -35.01 24.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 0.76 . . . . 0.0 109.356 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.493 ' HA ' ' CD1' ' A' ' 67' ' ' LEU . 24.0 t -72.74 -16.08 17.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.51 ' CG1' ' CD1' ' A' ' 8' ' ' ILE . 69.8 t -94.32 -57.74 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.376 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 79' ' ' LYS . . . -46.01 -55.32 7.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.559 ' CD2' ' OD1' ' A' ' 63' ' ' ASP . 1.5 m-85 -43.85 -23.61 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 0.0 111.023 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.423 ' N ' ' C ' ' A' ' 75' ' ' ALA . 8.6 mt -83.61 -70.65 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.358 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -59.67 -52.84 63.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 75' ' ' ALA . 1.2 mmtm . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.583 1.177 . . . . 0.0 109.279 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.468 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 3.5 tp60 -63.58 -61.68 2.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.539 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -53.01 -17.46 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.36 -45.37 32.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.542 ' CD1' ' CG1' ' A' ' 74' ' ' VAL . 8.2 mt -91.94 -3.56 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.246 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.468 ' CD1' ' HG3' ' A' ' 5' ' ' GLN . 2.9 mt -105.89 -42.28 6.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.539 ' CB ' ' O ' ' A' ' 6' ' ' GLU . . . -92.45 -34.68 14.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.97 -40.34 62.76 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.442 1.089 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -76.9 -53.17 15.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.51 0.771 . . . . 0.0 109.275 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.453 ' HB2' ' CG2' ' A' ' 27' ' ' ILE . . . -41.44 -47.52 3.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -57.75 -48.11 80.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.331 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.1 mt -62.62 -41.31 91.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.509 ' O ' ' N ' ' A' ' 21' ' ' GLY . 5.2 mt -53.8 -31.1 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -77.55 2.24 17.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 110.235 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -107.19 -59.11 1.86 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 110.347 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.497 ' CG1' ' OG ' ' A' ' 43' ' ' SER . 19.4 t -79.26 -64.87 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.494 ' HB ' ' CD1' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -63.63 -37.8 88.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.388 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 16' ' ' ILE . . . 81.96 21.07 61.89 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.526 1.141 . . . . 0.0 111.038 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.494 ' CD1' ' HB ' ' A' ' 20' ' ' THR . 12.1 mt -89.64 166.43 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.598 0.823 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.455 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 1.0 OUTLIER -71.0 151.84 94.98 Favored Pre-proline 0 C--N 1.326 -0.415 0 O-C-N 124.483 1.114 . . . . 0.0 110.319 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -49.35 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.471 1.774 . . . . 0.0 110.959 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.44 -26.19 65.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 110.036 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -44.46 96.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.098 . . . . 0.0 110.334 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.523 ' O ' ' CG2' ' A' ' 28' ' ' THR . 0.6 OUTLIER -56.72 156.03 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.523 ' CG2' ' O ' ' A' ' 27' ' ' ILE . 0.6 OUTLIER -166.76 167.09 8.27 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.363 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 2.0 7.12 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.521 1.801 . . . . 0.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.03 -5.15 55.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.402 ' O ' HG23 ' A' ' 69' ' ' THR . 5.1 mttt -68.09 162.94 23.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.538 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -118.96 14.25 13.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.163 . . . . 0.0 109.977 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.603 ' CE2' ' SD ' ' A' ' 44' ' ' MET . 1.0 OUTLIER 79.78 -33.77 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.998 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.466 ' CG2' ' HA ' ' A' ' 40' ' ' ASP . 1.1 t -136.22 -57.7 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 34' ' ' VAL . 13.8 t0 -37.12 -35.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -101.55 -67.61 0.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.367 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 36' ' ' ASP . 50.0 mt -38.96 -51.26 1.79 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 109.393 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER 65.37 12.67 8.28 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.525 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -90.87 -19.26 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.525 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 1.1 t70 83.99 -163.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.495 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 46.7 p -91.2 5.76 47.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.977 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.01 -72.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 109.392 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.497 ' OG ' ' CG1' ' A' ' 19' ' ' VAL . 12.6 t -63.64 -44.62 93.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.981 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.603 ' SD ' ' CE2' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -47.82 -38.95 17.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.924 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 41' ' ' SER . 2.7 t -60.9 -30.74 48.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.575 1.172 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.478 ' HB3' ' CG2' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -76.84 -51.37 11.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.365 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.9 mt -55.52 -24.27 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -87.58 -44.73 11.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -49.18 -26.32 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 54' ' ' LYS . 57.2 mt-30 -89.68 -60.35 1.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -52.19 -36.86 53.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.364 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.457 ' CG ' HG21 ' A' ' 57' ' ' VAL . 11.9 mt-10 -76.66 -1.57 28.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.401 1.063 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.42 -59.75 1.9 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 50' ' ' GLN . 11.6 mtpp -41.35 -40.66 1.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.524 ' CD1' ' CG1' ' A' ' 57' ' ' VAL . 33.5 t80 -110.38 -53.72 2.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.093 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 112.3 38.78 1.31 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.524 ' CG1' ' CD1' ' A' ' 55' ' ' TYR . 17.6 m -76.01 149.21 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 0.767 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.61 112.04 24.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.456 ' O ' ' CG2' ' A' ' 59' ' ' ILE . 59.8 mt -145.03 67.61 13.51 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 109.203 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 171.47 18.27 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.436 1.756 . . . . 0.0 110.969 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.28 -40.86 62.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -50.08 -21.98 1.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.503 ' CG ' ' CD2' ' A' ' 76' ' ' TYR . 0.6 OUTLIER -114.62 -36.46 4.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.434 HD22 ' CG2' ' A' ' 59' ' ' ILE . 0.5 OUTLIER -59.35 -16.55 23.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.367 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.79 -39.97 42.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.93 -43.4 9.94 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.55 1.156 . . . . 0.0 110.963 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.606 ' CD2' ' CD2' ' A' ' 76' ' ' TYR . 24.5 mt -44.54 118.29 1.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 0.744 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.33 -39.02 4.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.332 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 31' ' ' LYS . 20.4 p -135.9 177.36 7.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.593 1.183 . . . . 0.0 110.415 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.524 ' O ' ' N ' ' A' ' 74' ' ' VAL . 4.1 t -57.15 -55.97 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.236 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -44.17 -29.13 1.52 Allowed Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.584 1.178 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -88.82 -40.35 13.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 0.738 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.485 ' HA ' ' CD1' ' A' ' 67' ' ' LEU . 21.9 t -72.59 -14.53 17.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.399 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.542 ' CG1' ' CD1' ' A' ' 8' ' ' ILE . 77.3 t -96.48 -57.11 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.428 ' C ' ' N ' ' A' ' 77' ' ' ILE . . . -48.43 -55.1 11.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.357 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.606 ' CD2' ' CD2' ' A' ' 67' ' ' LEU . 1.7 m-85 -42.82 -24.95 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.428 ' N ' ' C ' ' A' ' 75' ' ' ALA . 6.6 mt -81.38 -55.67 7.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.601 1.188 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -66.68 -50.63 62.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 110.352 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.416 1.073 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.457 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 4.2 tp60 -53.77 -67.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.521 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -51.1 -19.71 1.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.419 1.075 . . . . 0.0 110.315 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -42.82 55.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.522 ' CD1' ' CG1' ' A' ' 74' ' ' VAL . 4.8 mt -94.08 -3.92 10.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.483 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 2.9 mt -106.21 -42.18 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 6' ' ' GLU . . . -93.0 -36.42 12.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.79 -43.03 76.95 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.54 1.15 . . . . 0.0 111.029 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -75.71 -53.25 16.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.485 0.756 . . . . 0.0 109.221 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 9' ' ' ILE . . . -41.7 -46.44 3.76 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -58.16 -46.56 85.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.409 ' CG2' ' HA ' ' A' ' 47' ' ' ILE . 34.0 mt -64.75 -45.07 96.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.5 mt -53.19 -32.35 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 109.247 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.515 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 2.2 tm-20 -78.18 4.99 11.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.573 1.171 . . . . 0.0 110.359 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 15' ' ' ILE . 0.9 OUTLIER -112.25 -43.92 3.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.308 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.525 ' CG1' ' OG ' ' A' ' 43' ' ' SER . 3.0 t -82.03 -56.76 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.434 HG21 ' CB ' ' A' ' 43' ' ' SER . 18.0 p -88.34 -23.45 23.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.425 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.4 20.29 77.16 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.515 ' O ' ' CB ' ' A' ' 17' ' ' GLU . 64.5 mt -75.86 166.52 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.413 0.714 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.459 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 0.2 OUTLIER -70.82 150.31 95.18 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.333 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -49.23 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.5 -20.64 63.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.015 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -65.67 -51.58 58.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.262 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.454 ' CG2' ' HB3' ' A' ' 13' ' ' ALA . 0.8 OUTLIER -53.95 128.5 13.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 109.37 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.43 ' C ' ' H ' ' A' ' 30' ' ' GLU . 1.0 OUTLIER -140.67 165.32 30.61 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 0.0 110.465 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.454 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 18.2 Cg_endo -75.03 42.24 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.479 1.778 . . . . 0.0 110.964 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.43 ' H ' ' C ' ' A' ' 28' ' ' THR . 1.9 mm-40 -136.66 5.31 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.06 167.15 12.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.242 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.587 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -128.49 14.37 6.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.983 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.587 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.3 t80 81.18 -38.38 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 111.076 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.482 ' CG2' ' HA ' ' A' ' 40' ' ' ASP . 1.1 t -137.65 -55.37 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.469 ' CB ' ' HB3' ' A' ' 32' ' ' SER . 8.7 t70 -38.23 -31.4 0.05 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -106.95 -68.05 0.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.515 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 58.5 mt -41.8 -55.83 2.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.81 12.18 8.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.35 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.583 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -94.06 -17.88 7.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.533 1.145 . . . . 0.0 109.268 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.583 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 11.4 t0 89.53 -172.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.504 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 90.0 p -89.48 -3.07 58.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.978 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.73 -63.51 1.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.525 ' OG ' ' CG1' ' A' ' 19' ' ' VAL . 8.2 t -65.85 -55.34 17.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 109.952 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.565 ' HE1' ' CE2' ' A' ' 33' ' ' PHE . 11.4 mmm -43.97 -38.03 3.26 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.475 1.109 . . . . 0.0 110.993 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 41' ' ' SER . 1.4 t -54.63 -37.85 40.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' SER . 0.0 OUTLIER -72.15 -52.96 14.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.078 . . . . 0.0 110.313 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.504 HG13 ' CG2' ' A' ' 19' ' ' VAL . 1.6 mt -40.35 -43.55 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.41 ' C ' ' N ' ' A' ' 50' ' ' GLN . . . -74.92 -51.13 14.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -45.93 -26.34 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' A' ' 54' ' ' LYS . 45.2 mt-30 -88.05 -60.82 1.86 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.421 ' CG2' HG21 ' A' ' 57' ' ' VAL . 1.0 OUTLIER -51.96 -38.72 57.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 0.0 110.43 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.81 -1.7 20.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.72 -64.96 1.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.165 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 50' ' ' GLN . 13.8 mttt -45.48 -40.75 8.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.241 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.63 -43.47 5.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 111.025 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.7 36.28 5.11 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.426 1.079 . . . . 0.0 111.015 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.437 ' CG1' ' CG2' ' A' ' 77' ' ' ILE . 2.1 t -65.05 -176.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.583 0.814 . . . . 0.0 109.356 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.453 ' NZ ' ' O ' ' A' ' 58' ' ' LYS . 0.6 OUTLIER -130.29 100.01 5.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.431 HG23 ' CD1' ' A' ' 67' ' ' LEU . 24.1 mt -153.49 76.89 6.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 170.47 20.34 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.504 1.792 . . . . 0.0 110.981 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.01 -40.51 89.52 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 0.0 109.211 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -50.76 -21.41 1.63 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.149 . . . . 0.0 110.316 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.599 ' CG ' ' CE2' ' A' ' 76' ' ' TYR . 0.7 OUTLIER -113.06 -34.15 5.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -56.57 -18.26 11.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.36 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.92 -41.39 59.76 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.16 -45.92 37.75 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 110.948 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.649 ' CD2' ' CD2' ' A' ' 76' ' ' TYR . 21.1 mt -40.82 124.52 2.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 0.765 . . . . 0.0 109.291 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.14 -40.88 3.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.41 1.069 . . . . 0.0 110.291 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 37.9 p -136.9 168.36 19.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.389 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.452 ' O ' ' CG2' ' A' ' 74' ' ' VAL . 12.9 t -48.89 -45.86 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.16 . . . . 0.0 109.352 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -53.57 -36.74 54.84 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.443 1.089 . . . . 0.0 110.959 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -82.61 -33.6 27.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.39 0.7 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.478 ' CG1' HD11 ' A' ' 67' ' ' LEU . 21.8 t -75.57 -14.31 15.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.522 ' CG1' ' CD1' ' A' ' 8' ' ' ILE . 94.5 t -95.2 -56.46 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.15 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 79' ' ' LYS . . . -45.29 -56.79 4.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.113 . . . . 0.0 109.348 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.649 ' CD2' ' CD2' ' A' ' 67' ' ' LEU . 1.4 m-30 -43.11 -25.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 111.045 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.437 ' CG2' ' CG1' ' A' ' 57' ' ' VAL . 5.4 mt -79.91 -77.12 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 79' ' ' LYS . 40.4 mt-30 -54.87 -50.96 67.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 75' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.448 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.468 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 5.1 tp60 -49.23 -70.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.308 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -49.48 -20.43 0.72 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 0.0 110.33 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 5' ' ' GLN . 0.1 OUTLIER -74.65 -42.28 58.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.328 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.539 ' CD1' ' CG1' ' A' ' 74' ' ' VAL . 4.4 mt -95.0 -3.23 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.486 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 2.9 mt -106.69 -41.08 5.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 6' ' ' GLU . . . -95.18 -35.86 11.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.589 1.181 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.7 -39.41 77.41 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.488 1.117 . . . . 0.0 111.038 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.405 ' HB ' ' O ' ' A' ' 8' ' ' ILE . 0.7 OUTLIER -79.94 -53.3 13.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.435 0.727 . . . . 0.0 109.279 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 9' ' ' ILE . . . -42.85 -50.0 5.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.51 -45.06 85.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 91.3 mt -63.98 -45.22 97.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.458 ' O ' ' OG1' ' A' ' 20' ' ' THR . 6.7 mt -53.72 -33.78 23.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.52 0.71 13.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.348 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -106.42 -44.15 4.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.155 . . . . 0.0 110.267 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.511 ' CG1' ' OG ' ' A' ' 43' ' ' SER . 3.1 t -83.27 -67.41 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' A' ' 16' ' ' ILE . 67.7 p -75.51 -20.84 58.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.429 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 70.79 22.33 78.17 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.457 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 61.7 mt -80.53 166.48 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.758 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.457 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 0.2 OUTLIER -69.38 151.17 96.94 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.282 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -49.61 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.556 1.819 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.54 -25.81 66.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 109.986 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -62.14 -45.15 94.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.32 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.452 ' CG1' HD12 ' A' ' 16' ' ' ILE . 0.7 OUTLIER -61.72 142.81 15.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.35 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.426 ' C ' ' H ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -159.85 170.17 9.14 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.369 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 42.62 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.477 1.777 . . . . 0.0 110.963 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.426 ' H ' ' C ' ' A' ' 28' ' ' THR . 2.9 mm-40 -129.36 -25.34 2.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.281 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -43.34 159.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.569 1.168 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.568 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -121.69 14.46 10.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.94 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.597 ' CE1' ' SD ' ' A' ' 44' ' ' MET . 1.0 OUTLIER 80.01 -30.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.493 ' CG2' ' HA ' ' A' ' 40' ' ' ASP . 1.1 t -143.18 -57.17 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.574 1.171 . . . . 0.0 109.256 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 34' ' ' VAL . 3.3 t70 -37.78 -32.4 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 109.227 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -106.4 -67.73 0.92 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.3 mt -43.51 -51.16 6.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 34' ' ' VAL . 1.2 t0 61.67 16.47 7.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.54 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -98.33 -15.28 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.54 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 15.0 t0 85.76 -170.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.498 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 54.8 p -88.68 1.78 54.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.046 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.08 -65.49 0.69 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.511 ' OG ' ' CG1' ' A' ' 19' ' ' VAL . 11.6 t -68.1 -48.73 64.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.96 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.597 ' SD ' ' CE1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -49.44 -28.75 5.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 111.008 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 41' ' ' SER . 1.3 t -66.76 -35.01 73.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -55.9 8.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.138 . . . . 0.0 110.343 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.489 HG13 ' CG2' ' A' ' 19' ' ' VAL . 1.5 mt -43.4 -45.45 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.03 -50.18 62.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -48.19 -25.39 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 54' ' ' LYS . 49.8 mt-30 -89.55 -60.21 2.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.416 1.072 . . . . 0.0 110.271 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.0 m -51.66 -38.22 53.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.458 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.469 ' CG ' HG22 ' A' ' 57' ' ' VAL . 15.2 mt-10 -75.34 -1.87 25.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 0.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.17 -61.03 1.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' GLN . 2.7 mtpt -41.72 -42.27 2.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.412 1.07 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -108.66 -53.78 2.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 114.75 27.98 3.09 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.432 1.083 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.469 HG22 ' CG ' ' A' ' 52' ' ' GLU . 19.5 m -61.23 148.69 9.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.439 0.729 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.8 105.26 16.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.46 ' CG2' HD13 ' A' ' 67' ' ' LEU . 10.1 mt -148.12 75.68 10.6 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 169.7 22.04 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.49 1.784 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.85 -40.54 80.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.34 -25.33 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.376 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.712 ' CB ' ' CE2' ' A' ' 76' ' ' TYR . 0.1 OUTLIER -112.95 -39.67 4.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -50.58 -22.9 2.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.04 -42.14 69.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 109.362 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -74.69 -46.76 17.2 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.487 1.117 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.48 ' HB3' ' CG2' ' A' ' 73' ' ' VAL . 8.6 mt -39.41 125.34 1.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 109.328 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.82 -41.52 3.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 110.352 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 70.6 p -131.69 165.57 23.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.38 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.501 ' O ' ' CG2' ' A' ' 74' ' ' VAL . 11.6 t -51.6 -44.83 35.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -51.84 -33.81 36.21 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.553 1.158 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -84.8 -33.05 23.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 0.743 . . . . 0.0 109.324 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.48 ' CG2' ' HB3' ' A' ' 67' ' ' LEU . 13.8 t -78.0 -11.66 13.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.559 1.162 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.539 ' CG1' ' CD1' ' A' ' 8' ' ' ILE . 64.0 t -96.75 -56.62 5.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 79' ' ' LYS . . . -44.81 -57.22 3.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.712 ' CE2' ' CB ' ' A' ' 63' ' ' ASP . 2.2 t80 -43.3 -27.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 111.059 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.7 mt -81.55 -76.52 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 79' ' ' LYS . 46.3 mt-30 -49.88 -53.06 28.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.549 1.155 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 75' ' ' ALA . 12.6 mmmm . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.473 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 4.6 tp60 -54.66 -66.92 0.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 110.306 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.515 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -51.38 -19.96 1.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.25 -42.63 59.36 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.501 1.126 . . . . 0.0 110.355 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.535 ' CD1' ' CG1' ' A' ' 74' ' ' VAL . 6.0 mt -94.66 -4.81 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.483 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 3.0 mt -104.61 -40.48 6.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 6' ' ' GLU . . . -94.33 -33.86 13.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -71.31 -40.24 60.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.3 mt -79.43 -54.41 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 0.775 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 9' ' ' ILE . . . -40.68 -49.79 3.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.302 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -59.16 -41.98 89.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.355 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.485 ' CG2' ' HA ' ' A' ' 47' ' ' ILE . 40.1 mt -66.48 -46.33 86.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.409 HG21 ' OG1' ' A' ' 20' ' ' THR . 36.6 mt -53.42 -32.25 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.511 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 1.3 tm-20 -79.06 3.55 17.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -109.89 -45.82 3.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 110.348 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.519 ' CG1' ' OG ' ' A' ' 43' ' ' SER . 2.4 t -79.46 -66.24 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.418 HG21 ' OG ' ' A' ' 43' ' ' SER . 18.1 p -76.53 -29.96 56.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.407 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.2 22.92 56.23 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.511 ' O ' ' CB ' ' A' ' 17' ' ' GLU . 47.9 mt -82.3 166.74 2.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.533 0.784 . . . . 0.0 109.241 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.458 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -69.53 152.45 96.32 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -54.85 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.537 1.809 . . . . 0.0 110.984 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.93 -23.14 66.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 109.999 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -61.56 -42.85 99.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 110.281 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.465 ' O ' ' CG2' ' A' ' 28' ' ' THR . 0.7 OUTLIER -62.16 146.9 11.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.465 ' CG2' ' O ' ' A' ' 27' ' ' ILE . 0.7 OUTLIER -163.69 166.62 12.25 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.376 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 48.51 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.452 1.764 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -137.76 -27.87 0.91 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.407 ' O ' HG22 ' A' ' 69' ' ' THR . 3.2 mttt -42.95 157.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.558 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -116.71 15.0 15.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.969 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.558 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.2 t80 79.98 -30.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 111.019 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.472 ' CG2' ' HA ' ' A' ' 40' ' ' ASP . 1.1 t -142.49 -57.21 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 109.351 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 34' ' ' VAL . 16.2 t0 -37.18 -33.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -105.4 -67.44 0.92 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.358 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.419 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 73.3 mt -39.84 -52.03 2.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER 63.59 13.53 7.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.907 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.594 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -94.05 -20.09 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.594 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 8.9 t0 89.51 -171.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.471 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 35.6 t -87.23 1.57 52.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.017 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -69.45 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.357 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.519 ' OG ' ' CG1' ' A' ' 19' ' ' VAL . 0.4 OUTLIER -67.24 -43.11 82.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.033 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.419 ' SD ' ' CD1' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -52.65 -31.48 37.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.996 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 41' ' ' SER . 1.4 t -63.29 -36.18 75.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.353 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.44 ' CB ' HG11 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -71.69 -56.46 5.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 110.27 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.485 ' HA ' ' CG2' ' A' ' 15' ' ' ILE . 2.5 mt -39.36 -41.43 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.33 -45.3 26.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -48.82 -26.52 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.12 . . . . 0.0 109.373 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' A' ' 54' ' ' LYS . 51.2 mt-30 -87.49 -60.29 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.332 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -51.49 -39.07 56.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 110.38 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.45 ' HA ' ' CG2' ' A' ' 57' ' ' VAL . 20.3 mt-10 -74.12 -1.97 22.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.331 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.26 -62.12 1.62 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.441 1.088 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 50' ' ' GLN . 11.5 mtpp -40.96 -40.8 1.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.348 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.572 ' CD1' HG12 ' A' ' 57' ' ' VAL . 33.0 t80 -108.34 -46.77 3.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 110.921 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 109.48 10.18 23.98 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.518 1.137 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.572 HG12 ' CD1' ' A' ' 55' ' ' TYR . 33.2 m -47.59 154.85 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.385 0.697 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.48 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -110.06 121.6 45.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.48 ' CG1' ' O ' ' A' ' 58' ' ' LYS . 21.0 mt -155.58 73.43 5.38 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 170.6 20.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.509 1.794 . . . . 0.0 110.955 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.422 ' C ' ' N ' ' A' ' 63' ' ' ASP . 0.4 OUTLIER -55.18 -39.49 69.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -41.63 -27.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.287 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.705 ' CB ' ' CE2' ' A' ' 76' ' ' TYR . 0.1 OUTLIER -116.14 -43.47 2.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.2 -25.3 0.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 63' ' ' ASP . . . -69.68 -44.83 69.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . -74.66 -48.07 13.81 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.457 1.098 . . . . 0.0 111.032 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.491 ' CD1' ' HA ' ' A' ' 73' ' ' VAL . 19.5 mt -39.31 122.9 1.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 109.235 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.64 -38.82 3.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 31' ' ' LYS . 73.2 p -130.55 166.24 21.03 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.498 1.123 . . . . 0.0 110.371 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 74' ' ' VAL . 12.0 t -52.92 -47.56 52.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -52.71 -30.4 35.47 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.439 1.087 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -86.0 -27.98 24.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 0.735 . . . . 0.0 109.346 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.491 ' HA ' ' CD1' ' A' ' 67' ' ' LEU . 21.2 t -82.87 -19.14 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.227 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.535 ' CG1' ' CD1' ' A' ' 8' ' ' ILE . 91.0 t -90.87 -50.21 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.348 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' ' 79' ' ' LYS . . . -47.24 -56.8 6.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.705 ' CE2' ' CB ' ' A' ' 63' ' ' ASP . 4.6 t80 -45.06 -31.11 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.948 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 73' ' ' VAL . 12.3 mt -81.75 -73.11 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.291 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.485 ' NE2' ' CG1' ' A' ' 74' ' ' VAL . 44.4 mt-30 -49.7 -56.71 9.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 75' ' ' ALA . 16.8 mmmt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.45 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 4.6 tp60 -53.17 -67.22 0.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.532 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -51.48 -19.76 1.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.9 -42.68 57.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.323 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.521 ' CD1' ' CG1' ' A' ' 74' ' ' VAL . 4.9 mt -94.45 -4.15 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.48 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 2.8 mt -105.66 -41.16 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.595 1.184 . . . . 0.0 109.245 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 6' ' ' GLU . . . -93.63 -35.29 12.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.02 -40.69 72.84 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.522 1.139 . . . . 0.0 111.056 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.0 OUTLIER -78.37 -53.31 14.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.484 0.755 . . . . 0.0 109.256 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 9' ' ' ILE . . . -41.83 -46.42 3.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.62 -43.71 97.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.43 ' N ' ' O ' ' A' ' 12' ' ' ILE . 28.7 mt -65.2 -44.15 95.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.369 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.45 ' O ' ' OG1' ' A' ' 20' ' ' THR . 10.2 mt -54.32 -32.82 24.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.506 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 1.1 tm-20 -75.82 2.06 13.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -109.74 -39.69 5.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.525 ' CG1' ' OG ' ' A' ' 43' ' ' SER . 3.2 t -86.52 -60.08 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 109.306 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' ' 16' ' ' ILE . 31.2 p -83.9 -22.18 31.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.424 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 74.5 21.5 78.68 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.475 1.109 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.506 ' O ' ' CB ' ' A' ' 17' ' ' GLU . 59.5 mt -80.42 167.0 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 0.752 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.46 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 0.1 OUTLIER -71.67 151.03 93.52 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -49.5 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.475 1.776 . . . . 0.0 110.969 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.7 -25.35 67.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -62.46 -44.13 97.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.152 . . . . 0.0 110.317 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.472 ' CG2' ' HB2' ' A' ' 13' ' ' ALA . 0.6 OUTLIER -64.39 135.51 27.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.41 ' C ' ' H ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -152.79 171.35 6.85 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 110.38 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 43.72 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.496 1.787 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.41 ' H ' ' C ' ' A' ' 28' ' ' THR . 1.6 mm-40 -139.36 9.06 2.47 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.518 1.137 . . . . 0.0 110.319 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -74.31 167.16 22.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.573 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -128.06 11.58 6.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 109.988 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.573 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.5 t80 80.3 -36.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.478 ' CG2' ' HA ' ' A' ' 40' ' ' ASP . 1.1 t -136.74 -56.5 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.367 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.462 ' CB ' ' HB3' ' A' ' 32' ' ' SER . 4.5 t70 -38.58 -31.16 0.05 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.091 . . . . 0.0 109.269 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -105.56 -67.91 0.9 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.242 -179.909 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.436 HD13 ' CG ' ' A' ' 44' ' ' MET . 57.8 mt -42.13 -55.17 3.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 68.07 12.75 8.92 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.572 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -93.21 -19.79 6.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.572 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 14.7 t0 89.06 -170.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.506 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 45.0 p -85.58 1.37 49.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.966 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.06 -68.45 0.38 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.525 ' OG ' ' CG1' ' A' ' 19' ' ' VAL . 23.0 t -67.13 -47.85 69.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.978 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.441 ' SD ' ' CE1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -47.71 -31.69 5.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 111.016 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.506 ' CG2' ' O ' ' A' ' 41' ' ' SER . 1.8 t -65.37 -34.73 72.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 43' ' ' SER . 0.3 OUTLIER -72.84 -55.67 6.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.249 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.494 HG13 ' CG2' ' A' ' 19' ' ' VAL . 3.9 mt -41.09 -41.81 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.568 1.167 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.4 ' CB ' ' OE1' ' A' ' 52' ' ' GLU . . . -75.01 -47.27 29.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -47.93 -25.89 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 54' ' ' LYS . 49.6 mt-30 -89.41 -60.72 1.87 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.117 . . . . 0.0 110.333 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -52.07 -37.39 53.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.385 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.468 ' CG ' HG22 ' A' ' 57' ' ' VAL . 13.7 mt-10 -75.41 -1.76 25.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.02 -63.19 1.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 109.319 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 50' ' ' GLN . 16.3 mtpt -45.29 -40.95 8.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 109.371 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -105.23 -40.65 5.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.892 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' VAL . . . 100.99 4.65 54.16 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.468 HG22 ' CG ' ' A' ' 52' ' ' GLU . 16.2 m -40.69 149.22 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 0.748 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.406 ' O ' ' CG ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -99.29 104.64 16.57 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.572 1.17 . . . . 0.0 109.249 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.453 HG21 ' CD1' ' A' ' 67' ' ' LEU . 20.0 mt -152.33 72.73 7.63 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 169.84 21.73 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.453 1.765 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.62 -40.87 76.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.257 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -50.71 -21.79 1.78 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.588 ' CG ' ' CE2' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -113.19 -33.77 5.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.421 HD13 ' CZ ' ' A' ' 33' ' ' PHE . 0.7 OUTLIER -58.34 -17.47 20.27 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.467 1.105 . . . . 0.0 109.305 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.11 -37.73 61.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -76.6 -46.61 11.37 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.511 1.132 . . . . 0.0 111.048 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.597 ' CD2' ' CD2' ' A' ' 76' ' ' TYR . 20.7 mt -40.1 123.59 1.7 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 0.757 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.78 -39.72 3.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.256 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 59.6 p -136.49 168.62 19.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.462 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.446 ' O ' ' CG2' ' A' ' 74' ' ' VAL . 13.9 t -49.4 -47.71 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -52.67 -36.2 48.03 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.488 1.117 . . . . 0.0 111.049 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.428 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 6.6 t0 -81.6 -32.15 32.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.468 ' CG1' HD11 ' A' ' 67' ' ' LEU . 23.7 t -77.63 -14.0 14.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.521 ' CG1' ' CD1' ' A' ' 8' ' ' ILE . 83.7 t -95.62 -53.03 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.486 ' O ' ' N ' ' A' ' 79' ' ' LYS . . . -48.71 -58.34 4.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.597 ' CD2' ' CD2' ' A' ' 67' ' ' LEU . 1.6 m-85 -40.97 -29.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 14.6 mt -76.08 -78.21 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 79' ' ' LYS . 39.6 mt-30 -53.49 -52.98 57.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.336 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 75' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.4 t . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.424 ' CD ' ' CD1' ' A' ' 9' ' ' ILE . 0.8 OUTLIER -57.27 -65.09 0.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.342 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.552 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -51.5 -19.25 1.35 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -42.34 57.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.552 1.158 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.511 ' CD1' ' CG1' ' A' ' 74' ' ' VAL . 3.7 mt -95.51 -3.42 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.519 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 2.4 mt -107.19 -40.93 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.552 ' CB ' ' O ' ' A' ' 6' ' ' GLU . . . -93.96 -35.95 12.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.09 -41.82 86.03 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.536 1.147 . . . . 0.0 111.049 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.0 OUTLIER -78.6 -52.99 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.55 0.794 . . . . 0.0 109.245 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 9' ' ' ILE . . . -41.6 -49.41 4.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -59.11 -40.29 84.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.46 ' N ' ' O ' ' A' ' 12' ' ' ILE . 16.2 mt -66.48 -46.69 85.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.576 1.173 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.448 ' O ' ' OG1' ' A' ' 20' ' ' THR . 22.4 mt -55.35 -32.35 29.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 22' ' ' ILE . 1.1 tm-20 -75.42 2.2 12.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -109.37 -37.79 5.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.592 1.182 . . . . 0.0 110.316 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.514 ' CG1' ' OG ' ' A' ' 43' ' ' SER . 2.7 t -86.97 -58.03 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' A' ' 16' ' ' ILE . 29.9 p -84.52 -27.35 27.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 110.372 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.14 28.47 58.28 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.447 1.092 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.49 ' O ' ' CG ' ' A' ' 17' ' ' GLU . 33.7 mt -90.57 166.23 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.47 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 0.6 OUTLIER -65.78 149.96 96.86 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -50.24 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.487 1.783 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.48 -26.53 68.76 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 110.037 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -60.86 -41.17 95.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.493 HG13 ' CE ' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -61.77 134.08 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.9 p -139.57 163.5 44.74 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.393 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 1.26 7.93 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.461 1.769 . . . . 0.0 110.948 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.05 7.01 46.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 1.174 . . . . 0.0 110.336 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.493 ' CE ' HG13 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -59.73 172.33 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.245 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.561 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -134.6 15.31 3.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.966 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.561 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.3 t80 79.14 -37.31 0.18 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.125 . . . . 0.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.466 ' CG2' ' HA ' ' A' ' 40' ' ' ASP . 1.2 t -136.56 -56.75 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.363 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.478 ' CB ' ' HB3' ' A' ' 32' ' ' SER . 8.8 t70 -38.04 -31.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -104.01 -65.2 1.04 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.424 HD23 ' NZ ' ' A' ' 31' ' ' LYS . 64.1 mt -44.97 -55.31 5.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.364 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER 68.05 12.33 8.75 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.447 1.092 . . . . 0.0 109.348 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.59 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -95.88 -15.53 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.165 . . . . 0.0 109.249 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.59 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 6.4 t70 89.76 -171.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.4 p -89.56 -0.34 57.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.98 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.47 -71.4 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.514 ' OG ' ' CG1' ' A' ' 19' ' ' VAL . 9.8 t -60.7 -46.26 91.07 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 0.0 109.973 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.422 ' CG ' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -47.27 -34.08 6.25 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -60.16 -37.49 73.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.427 ' CB ' HG13 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -70.44 -55.04 9.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.486 HG13 ' CG2' ' A' ' 19' ' ' VAL . 4.5 mt -42.14 -40.29 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.08 -50.32 16.82 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.574 1.171 . . . . 0.0 109.344 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -46.54 -27.33 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.242 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 54' ' ' LYS . 44.3 mt-30 -88.54 -60.01 2.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.3 m -52.09 -36.83 52.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.369 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -74.95 -4.18 36.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.261 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.9 -61.66 1.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 50' ' ' GLN . 6.1 mtpt -43.38 -41.12 4.01 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -101.0 -44.23 5.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.0 40.69 3.71 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.486 1.117 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.402 HG11 ' CG2' ' A' ' 77' ' ' ILE . 15.5 m -93.48 151.15 3.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.506 0.769 . . . . 0.0 109.225 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.13 118.15 34.08 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.471 ' CG2' HD13 ' A' ' 67' ' ' LEU . 9.1 mt -148.83 64.98 8.01 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.408 ' HD3' ' N ' ' A' ' 59' ' ' ILE . 18.3 Cg_endo -74.98 174.27 13.07 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.47 1.774 . . . . 0.0 111.02 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.407 ' C ' ' N ' ' A' ' 63' ' ' ASP . 0.3 OUTLIER -53.35 -39.58 64.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.265 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -41.88 -26.99 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.713 ' CB ' ' CE2' ' A' ' 76' ' ' TYR . 0.2 OUTLIER -120.3 -44.49 2.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.408 HD11 ' CZ ' ' A' ' 33' ' ' PHE . 0.8 OUTLIER -47.83 -25.0 1.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 63' ' ' ASP . . . -70.64 -41.29 72.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . -78.6 -44.16 11.1 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.496 1.122 . . . . 0.0 110.955 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.492 HD11 ' CG1' ' A' ' 73' ' ' VAL . 10.5 mt -39.25 124.77 1.56 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.603 0.825 . . . . 0.0 109.278 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.43 -42.27 2.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.412 HG21 ' O ' ' A' ' 31' ' ' LYS . 68.9 p -129.19 176.02 8.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.428 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 74' ' ' VAL . 4.0 t -59.11 -45.95 92.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.71 -23.13 42.94 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.502 1.126 . . . . 0.0 110.94 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -93.86 -31.45 14.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 0.746 . . . . 0.0 109.374 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.492 ' CG1' HD11 ' A' ' 67' ' ' LEU . 16.6 t -82.93 -13.01 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.511 ' CG1' ' CD1' ' A' ' 8' ' ' ILE . 43.8 t -99.4 -50.23 10.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.24 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.474 ' O ' ' CB ' ' A' ' 79' ' ' LYS . . . -44.1 -57.86 3.16 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.713 ' CE2' ' CB ' ' A' ' 63' ' ' ASP . 4.0 t80 -47.79 -24.16 0.91 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 74' ' ' VAL . 1.8 mt -83.42 -75.89 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 79' ' ' LYS . 57.5 mt-30 -52.08 -53.56 40.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.279 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 75' ' ' ALA . 8.5 mmmt . . . . . 0 C--N 1.323 -0.552 0 O-C-N 124.481 1.113 . . . . 0.0 109.234 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.421 HG23 ' N ' ' A' ' 5' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.445 -0.206 . . . . 0.0 110.445 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.421 ' N ' HG23 ' A' ' 4' ' ' THR . 1.5 tp60 -48.76 -68.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.514 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -49.73 -20.86 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 5' ' ' GLN . 0.3 OUTLIER -75.47 -42.74 52.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.331 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.454 HD11 ' CG1' ' A' ' 74' ' ' VAL . 4.2 mt -92.49 -4.07 10.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.51 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 2.7 mt -105.94 -39.84 5.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.347 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 6' ' ' GLU . . . -95.38 -39.8 9.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.58 -41.32 96.16 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.3 mt -78.96 -49.95 19.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.504 0.767 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 9' ' ' ILE . . . -40.09 -47.26 2.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -63.66 -41.09 98.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.494 ' N ' ' O ' ' A' ' 12' ' ' ILE . 84.8 mt -63.53 -43.89 98.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.462 HD12 ' CG1' ' A' ' 27' ' ' ILE . 17.6 mt -58.78 -35.01 53.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.508 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 1.9 tm-20 -74.78 1.51 12.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.517 1.136 . . . . 0.0 110.253 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -108.33 -39.77 5.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.242 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.521 ' CG1' ' OG ' ' A' ' 43' ' ' SER . 3.2 t -85.57 -61.08 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.088 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.456 ' OG1' ' O ' ' A' ' 16' ' ' ILE . 39.9 p -81.46 -27.24 34.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.167 . . . . 0.0 110.388 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.04 23.17 64.23 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.509 1.13 . . . . 0.0 110.986 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.508 ' O ' ' CB ' ' A' ' 17' ' ' GLU . 35.9 mt -85.47 166.22 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.561 0.8 . . . . 0.0 109.369 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.471 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 0.4 OUTLIER -66.38 148.38 98.58 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 110.305 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -49.73 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.444 1.76 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -24.51 67.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.985 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -60.38 -40.57 91.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.497 ' O ' ' CG2' ' A' ' 28' ' ' THR . 0.7 OUTLIER -61.09 149.01 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.497 ' CG2' ' O ' ' A' ' 27' ' ' ILE . 0.7 OUTLIER -165.23 166.3 10.77 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.432 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 46.43 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.58 1.832 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -136.66 -25.21 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.237 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -43.71 163.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.571 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -124.56 13.86 8.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.99 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.603 ' CE1' ' SD ' ' A' ' 44' ' ' MET . 1.5 t80 80.7 -36.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.48 ' CG2' ' HA ' ' A' ' 40' ' ' ASP . 1.1 t -137.41 -56.41 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.441 ' CB ' ' HB3' ' A' ' 32' ' ' SER . 7.3 t0 -37.9 -32.13 0.06 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.428 1.08 . . . . 0.0 109.256 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -105.65 -67.65 0.91 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.478 HD11 ' CG ' ' A' ' 44' ' ' MET . 67.7 mt -40.24 -54.63 2.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.72 13.16 9.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.573 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -94.5 -16.55 7.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.573 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 1.8 t70 88.39 -171.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 53.4 p -88.0 -0.21 56.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.089 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.21 -68.03 0.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 109.265 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.521 ' OG ' ' CG1' ' A' ' 19' ' ' VAL . 17.1 t -65.43 -49.46 69.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.013 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.603 ' SD ' ' CE1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -46.44 -34.21 4.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.6 -35.33 66.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 109.234 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 43' ' ' SER . 0.0 OUTLIER -72.11 -54.88 8.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.256 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.486 HG13 ' CG2' ' A' ' 19' ' ' VAL . 3.3 mt -41.56 -41.58 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.496 ' CB ' ' OE2' ' A' ' 52' ' ' GLU . . . -75.02 -51.46 13.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -46.41 -25.61 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 54' ' ' LYS . 40.8 mt-30 -88.93 -60.61 1.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -51.82 -38.34 55.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.451 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.496 ' OE2' ' CB ' ' A' ' 48' ' ' ALA . 11.5 mt-10 -74.76 -1.63 22.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 110.262 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.12 -63.63 1.39 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 50' ' ' GLN . 1.4 mttp -43.82 -40.92 4.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -105.09 -47.26 4.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.98 36.14 4.03 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.455 HG21 ' CG ' ' A' ' 52' ' ' GLU . 15.5 m -73.2 149.95 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.753 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.52 96.72 10.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.473 HG21 ' CD1' ' A' ' 67' ' ' LEU . 31.3 mt -143.42 71.14 17.82 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.235 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 168.75 24.15 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.533 1.807 . . . . 0.0 111.023 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.9 -41.13 70.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -51.32 -20.74 1.82 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.6 ' CG ' ' CE2' ' A' ' 76' ' ' TYR . 1.0 OUTLIER -113.6 -34.86 5.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.343 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.36 -15.74 28.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.76 -39.07 45.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -76.35 -48.78 8.94 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.568 1.168 . . . . 0.0 111.074 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.674 ' CD2' ' CD2' ' A' ' 76' ' ' TYR . 43.2 mt -39.72 128.17 2.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 0.792 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.86 -41.79 2.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 72' ' ' ASP . 77.6 p -132.95 161.52 34.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 110.363 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.7 t -45.13 -47.98 3.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -50.9 -35.5 32.09 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.5 1.125 . . . . 0.0 110.923 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 69' ' ' THR . 8.0 t0 -83.27 -34.93 25.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 0.754 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.495 ' HA ' ' CD1' ' A' ' 67' ' ' LEU . 23.8 t -73.12 -13.57 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.454 ' CG1' HD11 ' A' ' 8' ' ' ILE . 78.1 t -95.56 -59.28 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.583 1.177 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.43 ' O ' ' N ' ' A' ' 79' ' ' LYS . . . -43.8 -55.19 4.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.312 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.674 ' CD2' ' CD2' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -43.79 -26.65 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 111.021 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.469 ' CD1' HD12 ' A' ' 59' ' ' ILE . 2.4 mt -86.8 -76.35 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -46.67 -52.5 13.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 110.355 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 75' ' ' ALA . 1.8 mmmp? . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.4 t . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.45 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 4.4 tp60 -54.11 -67.06 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.522 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -51.59 -19.7 1.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -75.06 -43.01 55.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.349 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.52 ' CD1' ' CG1' ' A' ' 74' ' ' VAL . 4.8 mt -94.06 -4.07 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 109.214 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.493 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 2.7 mt -105.55 -41.52 6.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.382 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 6' ' ' GLU . . . -93.55 -36.54 12.36 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.44 1.087 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.64 -42.58 79.81 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.386 1.054 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.0 OUTLIER -76.61 -53.27 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.557 0.798 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 9' ' ' ILE . . . -40.45 -48.17 2.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.357 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -59.06 -43.03 91.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.472 ' N ' ' O ' ' A' ' 12' ' ' ILE . 59.7 mt -66.31 -45.96 88.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.444 ' O ' ' OG1' ' A' ' 20' ' ' THR . 39.8 mt -53.93 -30.95 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 22' ' ' ILE . 2.9 tm-20 -77.99 4.05 13.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.152 . . . . 0.0 110.276 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -109.91 -42.78 4.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 0.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.529 ' CG1' ' OG ' ' A' ' 43' ' ' SER . 3.5 t -80.43 -60.64 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.476 ' CG2' ' OG ' ' A' ' 43' ' ' SER . 32.3 p -82.03 -29.12 32.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.342 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.63 20.33 64.09 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.506 ' O ' ' CG ' ' A' ' 17' ' ' GLU . 50.8 mt -82.39 165.87 2.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.521 0.777 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.45 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 3.8 mt-10 -67.74 148.8 98.49 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.241 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.07 -50.17 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.484 1.781 . . . . 0.0 111.034 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.91 -25.37 66.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.001 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -63.84 -44.01 94.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.581 1.176 . . . . 0.0 110.355 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.44 ' CG2' ' HB1' ' A' ' 13' ' ' ALA . 0.8 OUTLIER -60.82 124.26 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.409 1.068 . . . . 0.0 109.315 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.445 ' C ' ' H ' ' A' ' 30' ' ' GLU . 1.1 p -137.92 165.78 31.11 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.358 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.437 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 18.3 Cg_endo -75.0 40.71 0.68 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.56 1.821 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.445 ' H ' ' C ' ' A' ' 28' ' ' THR . 1.8 mm-40 -137.58 6.78 2.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -68.09 169.05 10.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.567 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -129.06 11.59 6.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 109.948 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.567 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.4 t80 80.13 -35.78 0.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.481 ' CG2' ' HA ' ' A' ' 40' ' ' ASP . 1.1 t -137.33 -56.59 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.469 ' CB ' ' HB3' ' A' ' 32' ' ' SER . 19.1 t0 -38.34 -31.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -105.66 -67.86 0.9 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.466 HD12 ' CG ' ' A' ' 44' ' ' MET . 43.9 mt -41.55 -55.39 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 68.31 14.25 9.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.127 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.582 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -95.08 -18.91 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.582 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 5.3 t70 89.8 -172.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.26 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.4 p -85.78 3.35 41.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.969 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -68.41 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.529 ' OG ' ' CG1' ' A' ' 19' ' ' VAL . 25.7 t -66.08 -49.67 66.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.904 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.466 ' CG ' HD12 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -47.07 -30.16 2.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.949 -179.924 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -65.35 -35.99 76.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 43' ' ' SER . 0.3 OUTLIER -72.02 -56.01 6.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.259 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.511 HG13 ' CG2' ' A' ' 19' ' ' VAL . 2.7 mt -39.57 -43.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.401 ' C ' ' N ' ' A' ' 50' ' ' GLN . . . -72.95 -49.33 29.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.41 1.069 . . . . 0.0 109.345 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -48.23 -25.25 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 54' ' ' LYS . 40.7 mt-30 -89.98 -60.51 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -51.97 -37.76 54.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.358 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.402 ' CG ' HG21 ' A' ' 57' ' ' VAL . 16.8 mt-10 -75.7 -1.17 23.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.442 1.089 . . . . 0.0 110.365 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.89 -62.38 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 50' ' ' GLN . 47.1 mttt -44.06 -41.14 5.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -106.48 -48.48 3.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 110.961 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 107.56 17.35 11.38 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.517 1.135 . . . . 0.0 110.955 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.402 HG21 ' CG ' ' A' ' 52' ' ' GLU . 20.5 m -54.17 149.52 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 0.786 . . . . 0.0 109.263 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -94.42 100.65 12.62 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.468 HD13 ' CD1' ' A' ' 77' ' ' ILE . 37.8 mt -149.37 64.43 7.26 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.415 ' HD3' ' N ' ' A' ' 59' ' ' ILE . 18.6 Cg_endo -74.96 169.22 23.09 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.527 1.803 . . . . 0.0 111.087 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.55 -42.04 32.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -51.73 -20.95 2.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.26 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.59 ' CG ' ' CE2' ' A' ' 76' ' ' TYR . 0.7 OUTLIER -113.8 -34.18 5.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.424 1.077 . . . . 0.0 109.304 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.6 -15.56 29.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.01 -37.52 46.88 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -80.54 -45.75 7.76 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.446 1.091 . . . . 0.0 111.006 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.632 ' CD2' ' CD2' ' A' ' 76' ' ' TYR . 15.7 mt -39.94 121.34 1.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 0.765 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.41 -40.44 3.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.4 p -134.42 171.97 13.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.409 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.491 ' O ' ' CG2' ' A' ' 74' ' ' VAL . 11.1 t -53.73 -45.67 61.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -53.78 -39.3 61.38 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.509 1.131 . . . . 0.0 111.026 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.459 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 7.3 t0 -79.06 -30.11 43.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 0.76 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.479 ' CG1' HD11 ' A' ' 67' ' ' LEU . 46.2 t -80.13 -14.7 13.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.52 ' CG1' ' CD1' ' A' ' 8' ' ' ILE . 70.7 t -96.75 -53.72 7.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 79' ' ' LYS . . . -48.67 -56.85 7.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.632 ' CD2' ' CD2' ' A' ' 67' ' ' LEU . 1.1 m-30 -41.52 -27.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.977 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.468 ' CD1' HD13 ' A' ' 59' ' ' ILE . 2.9 mt -81.28 -78.12 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -50.72 -51.06 53.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.344 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 75' ' ' ALA . 1.3 mmmp? . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.452 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 4.3 tp60 -54.31 -66.77 0.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.512 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -51.3 -19.84 1.44 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.41 -42.57 58.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.487 HD11 ' CG1' ' A' ' 74' ' ' VAL . 5.0 mt -94.98 -3.65 10.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.5 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 2.8 mt -105.96 -41.54 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 6' ' ' GLU . . . -93.81 -36.36 12.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.242 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.87 -42.41 78.71 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.439 1.087 . . . . 0.0 110.978 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 15' ' ' ILE . 0.8 OUTLIER -76.91 -53.5 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 0.755 . . . . 0.0 109.229 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 9' ' ' ILE . . . -41.07 -47.68 3.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -58.53 -45.22 89.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.252 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.427 ' N ' ' O ' ' A' ' 12' ' ' ILE . 54.8 mt -65.32 -45.26 93.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 109.221 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.476 ' O ' ' OG1' ' A' ' 20' ' ' THR . 22.3 mt -53.12 -33.54 20.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.503 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 22.3 tt0 -75.54 1.81 13.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -105.79 -49.39 3.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.52 ' CG1' ' OG ' ' A' ' 43' ' ' SER . 2.9 t -76.96 -67.4 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.476 ' OG1' ' O ' ' A' ' 16' ' ' ILE . 43.2 p -73.63 -32.86 64.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.23 24.03 49.31 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.45 1.094 . . . . 0.0 111.02 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.503 ' O ' ' CB ' ' A' ' 17' ' ' GLU . 38.5 mt -82.43 166.04 2.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 0.764 . . . . 0.0 109.272 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.479 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 1.2 mt-10 -69.41 153.42 95.84 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -49.88 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.441 1.758 . . . . 0.0 110.943 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.02 -21.79 65.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.162 . . . . 0.0 110.013 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -62.21 -45.42 93.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 110.335 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.457 ' N ' ' CD1' ' A' ' 27' ' ' ILE . 0.7 OUTLIER -62.49 132.82 28.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.253 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.425 ' C ' ' H ' ' A' ' 30' ' ' GLU . 1.3 p -144.56 164.7 26.71 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 110.401 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 42.7 0.87 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.491 1.785 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.425 ' H ' ' C ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -141.18 9.49 2.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.145 . . . . 0.0 110.348 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -71.38 165.97 22.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.562 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -125.89 13.4 7.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.018 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.562 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.1 t80 79.42 -33.82 0.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.468 ' CG2' ' HA ' ' A' ' 40' ' ' ASP . 1.1 t -138.18 -57.68 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 34' ' ' VAL . 10.5 t0 -37.39 -32.74 0.05 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -104.95 -66.67 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.231 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.2 mt -43.71 -54.23 5.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 109.347 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 34' ' ' VAL . 1.6 t0 65.81 15.88 10.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.567 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -97.98 -17.78 6.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.919 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.567 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 1.7 t70 88.57 -169.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.505 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 13.7 p -90.54 0.5 57.32 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.48 1.112 . . . . 0.0 110.041 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.09 -67.97 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.52 ' OG ' ' CG1' ' A' ' 19' ' ' VAL . 0.7 OUTLIER -65.62 -49.09 70.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.915 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.451 ' SD ' ' CE1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -47.35 -37.48 11.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 110.981 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 41' ' ' SER . 1.7 t -57.3 -35.49 49.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.414 ' CB ' HG11 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -73.67 -53.55 10.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.479 HG13 ' CG2' ' A' ' 19' ' ' VAL . 2.4 mt -40.15 -43.44 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.48 -48.57 26.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -48.3 -27.56 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 54' ' ' LYS . 45.5 mt-30 -87.98 -58.39 2.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -51.13 -39.64 56.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.39 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.68 -0.28 20.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.12 -63.84 1.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 50' ' ' GLN . 9.0 mtpt -50.59 -42.69 56.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -100.3 -48.54 4.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 111.007 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.23 29.53 6.71 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.432 1.082 . . . . 0.0 111.076 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 m -59.09 -171.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.514 0.773 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.499 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 0.5 OUTLIER -129.88 100.09 5.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 109.26 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 58' ' ' LYS . 21.8 mt -156.38 78.25 4.17 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 167.75 26.35 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.475 1.776 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.12 -41.02 87.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -54.34 -18.41 4.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -112.26 -33.51 6.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.231 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.447 HD12 ' CZ ' ' A' ' 33' ' ' PHE . 1.0 OUTLIER -54.25 -20.01 6.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.27 -29.73 48.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -79.42 -50.42 5.73 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.554 1.159 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.57 HD22 ' CE2' ' A' ' 76' ' ' TYR . 10.2 mt -38.98 126.83 1.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.792 . . . . 0.0 109.317 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.61 -40.86 2.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 40.7 p -135.09 171.27 14.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.405 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.6 t -54.59 -41.43 55.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.66 -26.92 63.14 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -90.46 -32.87 16.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 0.767 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.472 ' CG1' HD11 ' A' ' 67' ' ' LEU . 22.1 t -77.28 -13.73 14.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.487 ' CG1' HD11 ' A' ' 8' ' ' ILE . 53.9 t -98.53 -56.58 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 79' ' ' LYS . . . -46.09 -57.34 4.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.267 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.57 ' CE2' HD22 ' A' ' 67' ' ' LEU . 3.2 m-85 -42.07 -30.7 0.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 111.045 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.456 ' CG1' HD11 ' A' ' 59' ' ' ILE . 3.1 mt -84.09 -74.95 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.418 ' NE2' ' CG1' ' A' ' 74' ' ' VAL . 46.1 mt-30 -47.87 -56.85 6.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.344 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 75' ' ' ALA . 35.3 mmtm . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.49 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 4.7 tp60 -54.45 -67.98 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.336 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.53 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -49.79 -19.41 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.218 -179.913 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -74.25 -43.18 58.02 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.565 1.166 . . . . 0.0 110.356 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.539 ' CD1' ' CG1' ' A' ' 74' ' ' VAL . 6.8 mt -95.19 -3.6 10.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.15 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.49 ' CD1' ' HG3' ' A' ' 5' ' ' GLN . 2.9 mt -106.1 -40.83 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.53 ' CB ' ' O ' ' A' ' 6' ' ' GLU . . . -94.2 -34.77 12.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -71.47 -39.27 61.48 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -76.76 -53.36 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.461 0.742 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -41.43 -46.98 3.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -58.9 -46.7 87.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.34 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.42 HG23 ' NE2' ' A' ' 50' ' ' GLN . 40.6 mt -64.23 -43.72 97.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.481 HD13 ' CG1' ' A' ' 27' ' ' ILE . 10.8 mt -53.68 -31.61 20.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.473 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 1.8 tm-20 -78.07 3.22 15.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -108.48 -45.9 3.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.443 1.089 . . . . 0.0 110.243 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.52 ' CG1' ' OG ' ' A' ' 43' ' ' SER . 2.5 t -80.74 -67.0 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 16' ' ' ILE . 24.5 p -74.9 -25.39 58.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.397 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.19 23.9 70.1 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.555 1.159 . . . . 0.0 111.014 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.474 ' CG2' HD12 ' A' ' 27' ' ' ILE . 59.0 mt -83.75 166.92 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 0.782 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.458 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 2.9 mt-10 -69.39 150.7 97.03 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -49.68 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.02 -24.05 65.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.045 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -66.09 -48.28 71.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.338 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.481 ' CG1' HD13 ' A' ' 16' ' ' ILE . 0.7 OUTLIER -60.35 123.23 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -133.22 170.32 11.69 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.39 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.44 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 18.3 Cg_endo -74.94 2.07 7.0 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.552 1.817 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -91.11 -9.73 44.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.401 ' O ' HG23 ' A' ' 69' ' ' THR . 1.8 mmtt -56.25 164.96 1.15 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.373 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.571 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -125.69 17.7 8.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.977 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.571 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.5 t80 80.27 -38.79 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.475 ' CG2' ' HA ' ' A' ' 40' ' ' ASP . 1.0 OUTLIER -138.53 -54.81 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.342 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.479 ' CB ' ' HB3' ' A' ' 32' ' ' SER . 17.3 t0 -38.16 -31.35 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.155 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.5 OUTLIER -107.28 -66.47 1.02 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.488 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 78.0 mt -39.81 -55.01 2.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.289 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 68.11 10.9 8.11 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.567 1.167 . . . . 0.0 109.319 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.59 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -91.37 -19.53 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.226 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.59 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 2.0 t70 89.26 -171.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.348 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 95.1 p -89.77 3.84 51.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.035 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.25 -70.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.52 ' OG ' ' CG1' ' A' ' 19' ' ' VAL . 0.6 OUTLIER -64.89 -43.33 93.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.028 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.488 ' SD ' ' CD1' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -52.36 -31.08 31.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 111.047 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.2 t -61.88 -38.67 81.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -70.84 -55.44 8.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.289 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.491 HG13 ' CG2' ' A' ' 19' ' ' VAL . 3.4 mt -39.27 -42.47 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.351 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.404 ' C ' ' N ' ' A' ' 50' ' ' GLN . . . -75.87 -46.73 28.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -48.31 -24.71 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 54' ' ' LYS . 47.2 mt-30 -90.08 -60.47 1.92 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.264 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -51.3 -39.27 56.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.417 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.476 ' CG ' HG21 ' A' ' 57' ' ' VAL . 20.8 mt-10 -74.41 -1.7 22.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.39 -61.51 1.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.414 1.071 . . . . 0.0 109.315 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' GLN . 1.4 mtpp -43.74 -42.46 5.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -104.93 -50.48 3.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 105.0 39.27 2.34 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.476 HG21 ' CG ' ' A' ' 52' ' ' GLU . 3.7 m -73.45 151.3 7.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.517 0.775 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.97 113.54 27.15 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.469 1.106 . . . . 0.0 109.351 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.468 HG22 ' CD1' ' A' ' 67' ' ' LEU . 13.5 mt -150.66 76.18 8.29 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.435 1.084 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 170.0 21.38 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.502 1.791 . . . . 0.0 111.055 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.91 -40.16 79.7 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -46.55 -23.91 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.491 ' OD1' ' CD2' ' A' ' 76' ' ' TYR . 0.4 OUTLIER -113.67 -37.18 4.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.286 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.51 -19.43 9.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.53 -40.34 76.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -80.56 -45.48 7.9 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.489 1.118 . . . . 0.0 110.941 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.602 ' CD2' ' CD2' ' A' ' 76' ' ' TYR . 14.8 mt -38.98 115.66 0.5 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.42 0.717 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.98 -37.84 4.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 110.355 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 31' ' ' LYS . 42.4 p -132.48 170.69 14.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.379 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' A' ' 74' ' ' VAL . 4.7 t -56.12 -55.41 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -43.03 -32.15 1.43 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.54 1.15 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.573 ' OD1' ' CE1' ' A' ' 76' ' ' TYR . 6.3 t0 -87.49 -37.27 17.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 0.749 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.48 ' CG1' HD12 ' A' ' 67' ' ' LEU . 39.7 t -74.68 -12.16 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.539 ' CG1' ' CD1' ' A' ' 8' ' ' ILE . 78.3 t -98.12 -58.23 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 79' ' ' LYS . . . -49.52 -56.14 10.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.602 ' CD2' ' CD2' ' A' ' 67' ' ' LEU . 2.5 m-85 -41.41 -26.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 111.044 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.41 ' CD1' HD13 ' A' ' 59' ' ' ILE . 3.1 mt -75.21 -65.5 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.453 ' O ' ' C ' ' A' ' 79' ' ' LYS . 24.6 mt-30 -83.41 -62.66 1.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 75' ' ' ALA . 15.5 mmtm . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.316 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.454 ' OG1' ' N ' ' A' ' 5' ' ' GLN . 6.6 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.454 ' N ' ' OG1' ' A' ' 4' ' ' THR . 2.4 tp60 -57.92 -65.17 0.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.513 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -51.52 -19.01 1.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.587 1.179 . . . . 0.0 110.251 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.439 ' CG ' ' OH ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -75.32 -45.03 42.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 110.322 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.481 ' CD1' ' CG1' ' A' ' 74' ' ' VAL . 4.1 mt -91.77 -3.57 10.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.373 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.495 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 2.7 mt -105.36 -42.15 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.395 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 6' ' ' GLU . . . -93.32 -36.44 12.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.36 -41.94 83.92 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.458 1.099 . . . . 0.0 110.94 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.425 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.0 OUTLIER -77.58 -53.46 14.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.509 0.77 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 9' ' ' ILE . . . -41.5 -49.96 3.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -57.37 -43.17 83.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 12' ' ' ILE . 98.9 mt -66.4 -47.75 83.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.466 ' O ' ' OG1' ' A' ' 20' ' ' THR . 21.8 mt -53.33 -34.12 22.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.227 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.479 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 0.1 OUTLIER -76.44 3.67 10.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -110.79 -47.4 3.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.499 ' CG1' ' OG ' ' A' ' 43' ' ' SER . 3.3 t -76.28 -64.21 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.477 ' CG2' ' OG ' ' A' ' 43' ' ' SER . 45.8 p -79.17 -30.76 43.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 110.345 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.59 23.56 53.14 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.513 1.133 . . . . 0.0 111.063 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.479 ' O ' ' CB ' ' A' ' 17' ' ' GLU . 41.6 mt -82.73 165.56 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.453 0.737 . . . . 0.0 109.281 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.466 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 0.3 OUTLIER -66.27 152.37 94.35 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.444 1.09 . . . . 0.0 110.209 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -54.51 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.494 1.786 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.26 -23.56 67.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.469 1.106 . . . . 0.0 109.928 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -61.39 -44.23 97.51 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.559 1.162 . . . . 0.0 110.342 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.504 ' O ' ' CG2' ' A' ' 28' ' ' THR . 0.7 OUTLIER -59.66 143.91 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.504 ' CG2' ' O ' ' A' ' 27' ' ' ILE . 0.2 OUTLIER -170.21 168.82 4.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 110.392 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 49.01 2.14 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.55 1.816 . . . . 0.0 111.075 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -132.21 -29.41 1.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.33 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.505 ' O ' ' CG2' ' A' ' 69' ' ' THR . 10.1 mmtt -49.58 167.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.369 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.557 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -129.31 23.33 5.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.028 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.694 ' CD2' ' CE ' ' A' ' 44' ' ' MET . 0.4 OUTLIER 78.97 -39.29 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.471 ' CG2' ' HA ' ' A' ' 40' ' ' ASP . 1.0 OUTLIER -140.06 -54.31 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.471 ' CB ' ' HB3' ' A' ' 32' ' ' SER . 6.2 t70 -37.87 -31.54 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -106.73 -66.0 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.492 ' CD2' ' NZ ' ' A' ' 31' ' ' LYS . 79.1 mt -41.99 -56.39 2.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.03 14.2 8.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.352 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.601 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -95.44 -16.51 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.264 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.601 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 7.7 t0 89.83 -172.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 109.348 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.5 p -90.47 3.45 53.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.005 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.56 -69.52 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.499 ' OG ' ' CG1' ' A' ' 19' ' ' VAL . 42.9 t -62.23 -53.88 48.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.945 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.694 ' CE ' ' CD2' ' A' ' 33' ' ' PHE . 4.3 mtm -42.64 -37.36 1.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.1 t -55.09 -40.0 52.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 43' ' ' SER . 0.4 OUTLIER -69.45 -53.88 17.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.255 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.486 HG13 ' CG2' ' A' ' 19' ' ' VAL . 3.5 mt -41.27 -41.69 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.489 ' CB ' ' OE1' ' A' ' 52' ' ' GLU . . . -77.49 -47.72 18.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -47.8 -24.59 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 54' ' ' LYS . 46.6 mt-30 -91.78 -60.94 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.274 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.8 m -52.52 -34.83 51.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 110.391 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.489 ' OE1' ' CB ' ' A' ' 48' ' ' ALA . 8.3 mt-10 -78.88 -1.97 37.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.43 -62.0 1.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 50' ' ' GLN . 19.2 mtmt -43.63 -41.75 4.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.439 ' OH ' ' CG ' ' A' ' 7' ' ' GLU . 1.3 m-85 -103.13 -47.13 4.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.56 1.163 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 101.56 33.11 4.9 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.526 1.141 . . . . 0.0 111.035 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.466 HG21 ' CG ' ' A' ' 52' ' ' GLU . 21.7 m -72.11 148.89 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 0.78 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.437 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -102.33 117.44 34.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 109.326 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.437 ' CG1' ' O ' ' A' ' 58' ' ' LYS . 36.1 mt -154.29 74.67 6.04 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 172.42 16.4 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.57 1.826 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.92 -39.31 74.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.35 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -43.21 -26.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.266 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.689 ' CB ' ' CE2' ' A' ' 76' ' ' TYR . 0.1 OUTLIER -115.52 -39.42 3.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.404 ' CD1' ' CZ ' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -52.12 -21.78 3.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.55 -30.78 67.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -91.97 -56.89 1.55 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.589 1.18 . . . . 0.0 110.956 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.51 ' HB3' ' CG2' ' A' ' 73' ' ' VAL . 10.4 mt -39.11 115.71 0.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 0.756 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.14 -52.8 2.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.505 ' CG2' ' O ' ' A' ' 31' ' ' LYS . 70.3 p -107.71 163.41 13.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.404 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.513 ' O ' ' CG2' ' A' ' 74' ' ' VAL . 16.1 t -53.29 -41.78 44.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.01 -36.09 66.23 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.563 1.164 . . . . 0.0 111.057 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -85.85 -31.09 22.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.747 . . . . 0.0 109.301 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.51 ' CG2' ' HB3' ' A' ' 67' ' ' LEU . 16.4 t -79.18 -12.83 13.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.513 ' CG2' ' O ' ' A' ' 70' ' ' VAL . 73.8 t -97.22 -49.09 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.516 ' O ' ' CG ' ' A' ' 79' ' ' LYS . . . -44.11 -56.59 3.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . 0.689 ' CE2' ' CB ' ' A' ' 63' ' ' ASP . 4.3 t80 -48.34 -27.06 2.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.405 ' N ' ' O ' ' A' ' 74' ' ' VAL . 4.9 mt -74.49 -73.16 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 79' ' ' LYS . 35.6 mt-30 -59.17 -52.57 65.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 110.344 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.516 ' CG ' ' O ' ' A' ' 75' ' ' ALA . 6.3 mmmt . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.438 1.086 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.516 ' CB ' ' HD3' ' A' ' 2' ' ' PRO . 2.4 mtt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.553 0.216 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.516 ' HD3' ' CB ' ' A' ' 1' ' ' MET . 18.5 Cg_endo -75.0 175.8 10.76 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.425 1.75 . . . . 0.0 111.01 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.434 ' HB ' ' CZ ' ' A' ' 55' ' ' TYR . 11.2 p -67.09 104.83 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.3 t -94.3 -172.35 2.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.368 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.425 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 2.5 tp60 -62.45 -62.93 1.41 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 110.283 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.547 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -51.94 -18.2 1.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.337 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.401 ' O ' ' HA3' ' A' ' 11' ' ' GLY . 0.1 OUTLIER -76.27 -47.42 23.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.266 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.506 ' CD1' ' CG1' ' A' ' 74' ' ' VAL . 5.8 mt -88.72 -3.96 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.49 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 2.8 mt -105.36 -42.23 6.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.112 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.547 ' CB ' ' O ' ' A' ' 6' ' ' GLU . . . -93.41 -38.99 11.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 7' ' ' GLU . . . -65.69 -41.56 95.81 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -77.89 -51.79 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 9' ' ' ILE . . . -42.46 -46.96 4.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -59.14 -47.04 86.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.8 mt -62.4 -42.14 94.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.471 HD13 ' CG1' ' A' ' 27' ' ' ILE . 6.3 mt -55.36 -33.67 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.464 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 4.2 tm-20 -74.98 1.29 13.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.59 -43.97 4.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.512 ' CG1' ' OG ' ' A' ' 43' ' ' SER . 2.6 t -84.45 -65.56 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.25 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 16' ' ' ILE . 41.7 p -76.83 -20.4 56.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 70.61 21.8 77.82 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.502 1.126 . . . . 0.0 111.047 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.464 ' O ' ' CB ' ' A' ' 17' ' ' GLU . 55.5 mt -81.01 165.35 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -69.57 154.05 95.16 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.259 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -49.91 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.498 1.788 . . . . 0.0 110.951 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.68 -24.05 64.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.972 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -63.7 -46.15 86.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.471 ' CG1' HD13 ' A' ' 16' ' ' ILE . 0.7 OUTLIER -61.76 132.32 27.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.62 167.34 20.89 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 110.366 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.472 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 18.3 Cg_endo -75.01 1.86 7.28 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.781 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.08 2.18 53.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.419 ' CE ' ' OD1' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -61.08 167.94 2.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.566 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -128.53 12.33 6.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.972 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.566 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.3 t80 79.91 -36.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.478 ' CG2' ' HA ' ' A' ' 40' ' ' ASP . 1.1 t -136.89 -56.59 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.468 ' CB ' ' HB3' ' A' ' 32' ' ' SER . 17.3 t0 -38.3 -31.34 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -105.69 -67.98 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 47.3 mt -41.82 -55.3 3.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.257 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 68.7 12.05 8.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.573 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -91.76 -17.63 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.573 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 6.2 t70 88.0 -170.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.506 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 14.0 p -87.51 -0.18 56.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.47 -67.86 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.512 ' OG ' ' CG1' ' A' ' 19' ' ' VAL . 6.6 t -65.52 -48.83 71.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.024 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.52 ' SD ' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -47.22 -35.48 7.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 111.003 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.506 ' CG2' ' O ' ' A' ' 41' ' ' SER . 2.0 t -60.88 -33.4 55.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 43' ' ' SER . 0.0 OUTLIER -74.43 -54.14 8.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.334 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.493 HG13 ' CG2' ' A' ' 19' ' ' VAL . 3.5 mt -43.51 -38.45 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.501 ' CB ' ' OE2' ' A' ' 52' ' ' GLU . . . -73.77 -48.38 32.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -48.61 -25.96 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 54' ' ' LYS . 50.7 mt-30 -89.04 -59.78 2.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.125 . . . . 0.0 110.306 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.0 m -51.47 -38.98 56.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.415 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.501 ' OE2' ' CB ' ' A' ' 48' ' ' ALA . 1.5 mt-10 -74.82 -2.12 25.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.336 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.23 -60.76 1.82 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 50' ' ' GLN . 11.6 mttt -40.85 -42.33 1.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.567 ' CD1' HG11 ' A' ' 57' ' ' VAL . 44.8 t80 -106.86 -53.16 2.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 111.043 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.38 26.13 4.69 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.488 1.118 . . . . 0.0 110.974 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.567 HG11 ' CD1' ' A' ' 55' ' ' TYR . 9.7 m -64.5 158.03 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.78 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.42 104.08 15.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.484 ' CG2' ' O ' ' A' ' 59' ' ' ILE . 41.1 mt -148.53 65.93 8.8 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 169.67 22.11 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.428 1.751 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.23 -42.01 39.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -51.74 -20.77 2.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.282 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.604 ' CG ' ' CE2' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -113.64 -34.15 5.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.265 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.94 -15.37 30.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.13 -38.22 36.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -78.95 -46.98 7.96 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.606 ' CD2' ' CD2' ' A' ' 76' ' ' TYR . 19.0 mt -39.75 115.41 0.52 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 0.76 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.96 -40.18 5.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.324 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 35.8 p -134.01 175.5 9.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.41 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.7 t -57.33 -49.4 80.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -49.95 -37.03 28.34 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.125 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -80.56 -35.56 34.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 0.788 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.477 ' CG1' HD12 ' A' ' 67' ' ' LEU . 48.2 t -72.18 -15.87 18.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.506 ' CG1' ' CD1' ' A' ' 8' ' ' ILE . 80.0 t -94.55 -55.72 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.432 ' CB ' ' HB2' ' A' ' 88' ' ' ALA . . . -46.0 -55.28 7.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.606 ' CD2' ' CD2' ' A' ' 67' ' ' LEU . 1.8 m-30 -42.3 -27.36 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.482 ' CD1' HD11 ' A' ' 59' ' ' ILE . 2.7 mt -85.29 -75.92 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 81' ' ' GLU . 43.7 mt-30 -48.91 -54.31 15.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.466 ' NZ ' ' O ' ' A' ' 84' ' ' ASN . 23.3 mmtm -44.41 -45.78 9.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.53 -40.06 68.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.462 ' O ' ' CB ' ' A' ' 82' ' ' GLU . 5.4 mm-40 -83.35 -88.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.462 ' CB ' ' O ' ' A' ' 81' ' ' GLU . 0.9 OUTLIER 163.94 92.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.289 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -130.59 -75.74 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.344 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.466 ' O ' ' NZ ' ' A' ' 79' ' ' LYS . 2.7 t30 -114.99 89.83 21.03 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 53.14 3.23 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.516 1.798 . . . . 0.0 111.028 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.45 ' O ' ' CD1' ' A' ' 95' ' ' ILE . 13.8 tt0 -122.37 -59.58 1.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.276 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.505 ' O ' ' CB ' ' A' ' 88' ' ' ALA . . . -171.0 -51.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 87' ' ' ALA . . . 162.56 -171.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.502 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 14.5 mt-30 -97.63 85.87 3.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.265 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 89' ' ' GLN . . . 162.87 -47.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.479 ' HG ' ' CB ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -39.98 137.33 0.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.491 ' O ' ' CB ' ' A' ' 93' ' ' ALA . 0.0 OUTLIER -164.15 56.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 92' ' ' ARG . . . 163.8 73.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 67.45 140.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.45 ' CD1' ' O ' ' A' ' 86' ' ' GLU . 29.2 mm -58.01 -82.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.59 -47.65 1.34 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.146 . . . . 0.0 110.248 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.99 56.75 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.01 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -72.45 150.13 43.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -168.96 84.9 0.66 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 69.54 5.52 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.457 1.767 . . . . 0.0 110.992 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.446 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 1.4 t0 -157.74 -58.29 0.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.446 ' CB ' ' O ' ' A' ' 101' ' ' ASP . . . 80.39 42.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 21.1 t -44.59 165.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -177.19 56.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.3 t30 175.6 -156.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 1.4 t -122.05 168.56 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.73 -154.95 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 76.42 24.35 1.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.37 19.17 12.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.328 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.01 164.94 11.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -128.17 -148.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.342 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -164.1 174.71 10.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -109.93 -59.31 1.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.267 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.51 146.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.001 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.477 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 2.8 ttm . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.561 0.22 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.3 Cg_endo -74.9 -34.29 4.06 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.462 1.769 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.9 p 42.89 41.39 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.8 m -74.8 178.74 5.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.314 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.498 ' NE2' ' NE2' ' A' ' 89' ' ' GLN . 4.6 tp60 -48.96 -69.16 0.13 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.468 1.105 . . . . 0.0 110.364 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.514 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -50.39 -21.08 1.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.29 -43.48 56.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.533 ' CD1' ' CG1' ' A' ' 74' ' ' VAL . 4.1 mt -92.9 -4.13 10.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.144 . . . . 0.0 109.344 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.492 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 2.8 mt -105.06 -41.59 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 6' ' ' GLU . . . -92.76 -35.99 13.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 109.223 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.34 -42.74 73.37 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.474 1.109 . . . . 0.0 110.952 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.0 OUTLIER -76.17 -53.53 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 0.791 . . . . 0.0 109.24 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 9' ' ' ILE . . . -40.46 -46.97 2.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -59.64 -43.64 93.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.326 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.473 ' N ' ' O ' ' A' ' 12' ' ' ILE . 32.4 mt -64.84 -44.55 96.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.436 1.085 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.456 ' O ' ' OG1' ' A' ' 20' ' ' THR . 26.1 mt -53.82 -32.33 21.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.517 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 0.3 OUTLIER -76.77 3.19 12.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.11 -45.25 3.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.266 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.51 ' CG1' ' OG ' ' A' ' 43' ' ' SER . 2.8 t -79.02 -62.69 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.409 1.068 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.456 ' OG1' ' O ' ' A' ' 16' ' ' ILE . 36.7 p -80.34 -30.99 38.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 110.423 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.1 24.53 51.88 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.452 1.095 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.517 ' O ' ' CB ' ' A' ' 17' ' ' GLU . 33.1 mt -85.5 166.15 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.476 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 0.1 OUTLIER -68.84 148.22 97.94 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -50.0 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.468 1.773 . . . . 0.0 110.946 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.27 -24.64 67.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 110.02 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -62.57 -42.64 99.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 110.324 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.444 ' N ' ' CD1' ' A' ' 27' ' ' ILE . 0.7 OUTLIER -61.37 130.97 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.245 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.445 ' C ' ' H ' ' A' ' 30' ' ' GLU . 0.9 OUTLIER -141.02 165.74 27.33 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.436 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 40.35 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.445 ' H ' ' C ' ' A' ' 28' ' ' THR . 1.7 mm-40 -138.56 8.93 2.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.082 . . . . 0.0 110.314 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.414 ' NZ ' ' HB3' ' A' ' 36' ' ' ASP . 1.4 mmtt -69.6 167.92 15.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.562 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -129.09 12.31 6.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.035 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.562 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.4 t80 79.62 -36.26 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 111.064 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.475 ' CG2' ' HA ' ' A' ' 40' ' ' ASP . 1.1 t -136.51 -56.86 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.458 ' CB ' ' HB3' ' A' ' 32' ' ' SER . 3.3 t70 -39.09 -30.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER -105.41 -67.31 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.413 1.071 . . . . 0.0 109.312 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.456 HD13 ' CG ' ' A' ' 44' ' ' MET . 78.5 mt -42.44 -54.86 3.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 t70 68.92 11.46 8.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.279 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.577 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -93.62 -13.73 8.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.577 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 12.5 t0 88.38 -171.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.9 p -90.8 -1.44 57.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.561 1.163 . . . . 0.0 109.976 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.95 -68.06 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.51 ' OG ' ' CG1' ' A' ' 19' ' ' VAL . 9.8 t -63.62 -47.22 82.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.992 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.458 ' SD ' ' CE2' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -48.39 -33.64 9.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -61.84 -33.94 60.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.441 1.088 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.5 -54.27 8.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 110.326 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.492 HG13 ' CG2' ' A' ' 19' ' ' VAL . 3.2 mt -40.41 -46.08 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.41 -46.11 61.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -48.51 -27.38 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.559 1.162 . . . . 0.0 109.247 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.445 ' O ' ' N ' ' A' ' 54' ' ' LYS . 57.7 mt-30 -87.7 -60.35 1.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.272 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -51.66 -38.89 56.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.354 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.446 ' HA ' ' CG2' ' A' ' 57' ' ' VAL . 20.1 mt-10 -73.84 -2.97 25.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.102 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.32 -63.76 1.4 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' GLN . 23.3 mttt -44.0 -40.85 5.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -104.18 -43.47 5.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 102.95 7.12 44.84 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.523 1.139 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.446 ' CG2' ' HA ' ' A' ' 52' ' ' GLU . 15.3 m -43.62 149.74 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.784 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.28 97.22 9.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.152 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.471 HD12 ' CD1' ' A' ' 77' ' ' ILE . 45.8 mt -146.78 74.62 12.25 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 169.83 21.75 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.494 1.787 . . . . 0.0 111.038 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.25 -40.51 77.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -53.37 -19.18 3.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.613 ' OD1' ' CE2' ' A' ' 76' ' ' TYR . 0.3 OUTLIER -112.39 -34.79 5.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.231 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.469 HD13 ' CZ ' ' A' ' 33' ' ' PHE . 0.8 OUTLIER -60.42 -15.48 26.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.67 -36.89 59.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.25 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -78.7 -47.31 7.96 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.663 ' CD2' ' CD2' ' A' ' 76' ' ' TYR . 26.8 mt -39.45 119.6 0.96 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 0.788 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.74 -37.92 4.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.258 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 42.8 p -135.67 168.99 18.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 110.374 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 74' ' ' VAL . 12.4 t -52.26 -53.7 17.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -44.34 -37.71 4.81 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.48 1.112 . . . . 0.0 110.972 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -80.64 -38.45 29.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 0.784 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.478 ' HA ' ' CD1' ' A' ' 67' ' ' LEU . 35.2 t -70.06 -15.55 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.251 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.533 ' CG1' ' CD1' ' A' ' 8' ' ' ILE . 96.7 t -97.27 -55.11 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.582 1.176 . . . . 0.0 109.236 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 79' ' ' LYS . . . -48.92 -54.8 13.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.244 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.663 ' CD2' ' CD2' ' A' ' 67' ' ' LEU . 1.8 m-30 -43.4 -28.39 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.471 ' CD1' HD12 ' A' ' 59' ' ' ILE . 1.8 mt -80.4 -76.24 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.354 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 81' ' ' GLU . 53.1 mt-30 -49.69 -53.33 25.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 110.236 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 75' ' ' ALA . 0.8 OUTLIER -41.36 -42.28 2.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.91 -46.62 83.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 78' ' ' GLN . 0.6 OUTLIER -71.66 -18.53 62.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 110.269 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 81' ' ' GLU . 14.3 mt-10 82.92 90.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.25 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -129.6 -69.98 0.66 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.418 1.074 . . . . 0.0 110.268 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -112.2 95.8 32.07 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 52.22 2.98 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.519 1.8 . . . . 0.0 111.033 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -127.91 -64.83 0.94 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.538 1.149 . . . . 0.0 110.384 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -169.59 -63.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -177.25 -167.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.498 ' NE2' ' NE2' ' A' ' 5' ' ' GLN . 0.7 OUTLIER -85.39 123.46 30.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.427 1.079 . . . . 0.0 110.333 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 76.89 25.52 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.492 ' CD2' ' C ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -71.76 139.24 48.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -177.91 46.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -141.27 -71.58 0.35 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -131.63 172.49 12.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 39.2 mm -94.32 -52.07 10.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.49 1.118 . . . . 0.0 109.368 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.89 -9.88 54.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.15 -152.58 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.008 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -164.85 163.94 21.04 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.536 1.147 . . . . 0.0 110.381 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -178.58 102.72 0.2 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 56.22 4.22 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -168.95 124.77 0.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -151.08 38.71 0.66 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 2.4 t -125.92 156.25 35.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -166.35 46.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -44.37 165.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.248 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 14.8 t -122.09 169.85 12.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -179.55 90.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 110.327 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -175.96 45.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.359 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.07 55.95 1.31 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.52 1.138 . . . . 0.0 110.32 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 63.8 tp -131.71 142.14 49.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.578 1.174 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -141.43 97.49 3.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 110.347 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -140.5 104.66 4.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.3 -64.71 0.22 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.0 110.278 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 54.07 171.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.113 . . . . 0.0 109.993 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 17.5 tptp . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 109.239 -179.953 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.481 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 2.7 mtt . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.507 0.194 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.1 Cg_endo -75.06 -162.69 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.57 1.826 . . . . 0.0 111.034 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.1 p -153.66 42.09 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.486 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 0.4 OUTLIER -77.54 178.88 6.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.44 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.486 ' N ' ' CG2' ' A' ' 4' ' ' THR . 5.0 tp60 -48.14 -69.96 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.503 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -48.44 -21.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.36 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.41 ' CD ' ' OH ' ' A' ' 55' ' ' TYR . 1.0 OUTLIER -74.57 -46.94 35.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 110.291 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.528 ' CD1' ' CG1' ' A' ' 74' ' ' VAL . 6.0 mt -88.14 -3.54 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.47 ' CD1' ' HG3' ' A' ' 5' ' ' GLN . 2.9 mt -105.15 -42.01 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.503 ' CB ' ' O ' ' A' ' 6' ' ' GLU . . . -92.74 -36.04 13.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.34 -42.99 72.46 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.414 ' HB ' ' O ' ' A' ' 8' ' ' ILE . 0.8 OUTLIER -75.22 -53.38 16.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 109.343 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 9' ' ' ILE . . . -42.53 -45.96 4.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -58.9 -44.86 91.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.579 1.174 . . . . 0.0 110.282 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 12' ' ' ILE . 14.4 mt -66.06 -42.58 91.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.462 ' CG2' ' OG1' ' A' ' 20' ' ' THR . 5.6 mt -53.58 -34.36 23.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.426 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 0.7 OUTLIER -73.12 -0.03 12.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.16 . . . . 0.0 110.28 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -105.35 -45.01 4.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.424 1.077 . . . . 0.0 110.41 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.524 ' CG1' ' OG ' ' A' ' 43' ' ' SER . 2.8 t -83.42 -67.62 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.6 1.188 . . . . 0.0 109.354 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.462 ' OG1' ' CG2' ' A' ' 16' ' ' ILE . 70.3 p -74.4 -22.82 58.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.59 1.181 . . . . 0.0 110.414 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.61 23.47 77.85 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.557 1.16 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.426 ' O ' ' CB ' ' A' ' 17' ' ' GLU . 48.8 mt -83.01 163.56 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.462 0.742 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.95 154.32 93.9 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.355 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -49.35 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.485 1.781 . . . . 0.0 111.049 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.47 -23.47 64.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 109.946 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -61.35 -42.41 98.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.251 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.482 ' N ' ' CD1' ' A' ' 27' ' ' ILE . 0.6 OUTLIER -64.85 137.62 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.416 ' C ' ' H ' ' A' ' 30' ' ' GLU . 1.5 p -147.93 164.46 22.23 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.408 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.93 43.05 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.537 1.809 . . . . 0.0 111.038 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.416 ' H ' ' C ' ' A' ' 28' ' ' THR . 4.1 pt-20 -140.31 8.74 2.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.75 164.63 21.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.591 1.182 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.556 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -127.02 12.31 7.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.384 1.053 . . . . 0.0 109.981 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.556 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.1 t80 79.36 -31.5 0.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 110.965 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.478 ' CG2' ' HA ' ' A' ' 40' ' ' ASP . 1.1 t -140.15 -57.73 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.424 ' CB ' ' HB3' ' A' ' 32' ' ' SER . 13.6 t0 -38.78 -31.02 0.05 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -107.16 -66.78 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.462 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 71.6 mt -43.52 -53.89 5.24 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER 65.72 16.35 10.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.564 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -99.7 -14.52 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.564 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 2.3 t70 87.14 -170.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.8 p -90.08 4.75 49.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 110.037 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.51 -69.83 0.34 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.524 ' OG ' ' CG1' ' A' ' 19' ' ' VAL . 21.8 t -62.7 -48.06 80.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.965 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.462 ' SD ' ' CD1' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -48.27 -31.9 6.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 111.021 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.2 t -64.13 -31.93 55.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.355 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 43' ' ' SER . 0.0 OUTLIER -75.77 -54.47 6.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.309 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.501 HG13 ' CG2' ' A' ' 19' ' ' VAL . 3.5 mt -41.68 -40.76 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.496 1.122 . . . . 0.0 109.239 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.494 ' CB ' ' OE1' ' A' ' 52' ' ' GLU . . . -75.53 -49.7 17.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -47.51 -26.6 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 54' ' ' LYS . 52.1 mt-30 -87.8 -59.72 2.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -51.27 -39.75 57.43 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.494 ' OE1' ' CB ' ' A' ' 48' ' ' ALA . 4.9 mt-10 -74.35 -0.46 17.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.369 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.7 -64.69 1.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.258 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 50' ' ' GLN . 7.7 mtpp -44.65 -41.39 6.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.41 ' OH ' ' CD ' ' A' ' 7' ' ' GLU . 1.2 m-85 -104.4 -45.99 4.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 98.08 34.18 5.49 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.457 ' CG2' ' HG3' ' A' ' 52' ' ' GLU . 5.4 m -70.91 157.95 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.606 0.827 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.61 98.75 10.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.465 HG22 ' CD1' ' A' ' 67' ' ' LEU . 28.5 mt -150.76 69.13 8.5 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 169.47 22.54 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.527 1.804 . . . . 0.0 111.021 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.07 -40.32 67.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -50.82 -21.66 1.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.506 ' OD1' ' CE2' ' A' ' 76' ' ' TYR . 0.6 OUTLIER -114.38 -34.86 5.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.69 -16.99 18.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.362 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.33 -42.28 37.31 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.71 -43.08 37.02 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.596 ' CD2' ' CD2' ' A' ' 76' ' ' TYR . 19.3 mt -39.57 117.03 0.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 0.766 . . . . 0.0 109.298 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.33 -40.05 4.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.301 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 43.1 p -136.57 168.71 18.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 110.454 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 74' ' ' VAL . 11.5 t -51.27 -47.91 33.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -50.48 -37.88 33.76 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.539 1.15 . . . . 0.0 111.004 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -80.05 -35.68 36.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.756 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.465 ' CG1' HD13 ' A' ' 67' ' ' LEU . 21.0 t -73.52 -15.2 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.362 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.528 ' CG1' ' CD1' ' A' ' 8' ' ' ILE . 95.9 t -96.41 -58.14 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 79' ' ' LYS . . . -46.0 -56.1 5.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.596 ' CD2' ' CD2' ' A' ' 67' ' ' LEU . 1.6 m-30 -42.42 -27.8 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.429 ' CD1' HD13 ' A' ' 59' ' ' ILE . 4.4 mt -82.83 -76.48 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 82' ' ' GLU . 36.9 mt-30 -49.57 -53.86 21.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.257 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 75' ' ' ALA . 2.3 mmmp? -40.84 -49.66 3.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.29 -43.76 95.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.265 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 78' ' ' GLN . 6.9 mm-40 -70.38 -21.85 62.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 110.245 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 78' ' ' GLN . 13.5 mt-10 81.71 89.19 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -134.63 -68.23 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.34 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -116.06 86.15 16.39 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 53.93 3.47 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.541 1.811 . . . . 0.0 110.949 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.419 ' O ' ' CB ' ' A' ' 87' ' ' ALA . 2.4 tp10 -125.46 -62.81 1.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 110.285 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . 168.66 58.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.422 ' CB ' ' HB3' ' A' ' 75' ' ' ALA . . . 60.72 -165.01 0.22 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.447 ' NE2' ' CD ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -105.96 68.83 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.289 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 173.42 56.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.465 ' CD2' ' C ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -138.4 143.21 39.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -176.16 46.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.344 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -177.66 -65.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -126.32 134.7 51.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.087 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.9 mp -56.53 -62.42 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 109.254 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 98' ' ' GLU . 0.8 OUTLIER -69.34 -66.75 0.54 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.237 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.1 m -67.91 68.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.025 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 96' ' ' GLU . 41.6 mt-10 -58.83 130.32 46.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.357 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -40.85 101.08 0.23 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 55.76 4.09 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.528 1.804 . . . . 0.0 110.953 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 1.3 t70 -171.22 -55.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 101' ' ' ASP . . . 82.17 38.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.445 ' CG1' ' N ' ' A' ' 104' ' ' ALA . 1.1 p -131.66 -158.64 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.445 ' N ' ' CG1' ' A' ' 103' ' ' VAL . . . 174.73 53.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 39.3 p30 172.87 150.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.499 ' CG1' ' N ' ' A' ' 107' ' ' GLN . 1.5 p -122.8 -153.35 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.378 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.499 ' N ' ' CG1' ' A' ' 106' ' ' VAL . 25.0 tt0 -179.2 148.7 0.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 110.31 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 107' ' ' GLN . . . 83.6 26.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.234 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.444 ' CG ' HG12 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -169.97 58.3 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 58.7 tp -137.83 138.5 39.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -148.58 109.81 4.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -145.21 72.21 1.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 174.92 57.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 65.6 m -118.31 108.03 14.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 110.02 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.8 tptp . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.484 0.183 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -174.84 2.09 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.467 1.772 . . . . 0.0 110.961 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.0 p -84.86 169.58 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.472 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 0.3 OUTLIER -178.42 172.81 1.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.454 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.472 ' N ' ' CG2' ' A' ' 4' ' ' THR . 5.5 tp60 -49.76 -70.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.345 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -49.37 -20.96 0.76 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.083 . . . . 0.0 110.321 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.7 -42.78 57.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.261 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.534 ' CD1' ' CG1' ' A' ' 74' ' ' VAL . 6.0 mt -93.52 -4.3 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.485 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 2.9 mt -105.05 -40.73 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 6' ' ' GLU . . . -93.89 -34.35 13.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.95 -40.61 62.74 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.462 1.102 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.1 mt -78.67 -53.38 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.451 0.736 . . . . 0.0 109.242 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' A' ' 9' ' ' ILE . . . -42.4 -47.51 4.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -58.67 -47.03 85.88 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.57 1.169 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.2 mt -62.96 -41.99 94.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.174 . . . . 0.0 109.354 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.45 ' O ' ' OG1' ' A' ' 20' ' ' THR . 5.6 mt -53.78 -34.23 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -73.51 0.55 12.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.254 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -106.21 -43.71 4.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.226 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.514 ' CG2' HG13 ' A' ' 47' ' ' ILE . 2.6 t -84.39 -66.55 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' ' 16' ' ' ILE . 65.8 p -75.39 -26.96 58.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.365 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.09 20.99 74.8 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.467 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 49.1 mt -80.88 166.95 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.557 0.798 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.467 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -70.6 151.34 95.47 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.254 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -50.1 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.484 1.781 . . . . 0.0 110.961 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.01 -25.48 67.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 110.042 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -62.22 -43.98 97.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.333 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.466 ' CG2' ' HB1' ' A' ' 13' ' ' ALA . 0.6 OUTLIER -62.24 138.6 22.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.361 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.419 ' C ' ' H ' ' A' ' 30' ' ' GLU . 0.8 OUTLIER -151.15 166.18 15.69 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.394 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.473 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 18.1 Cg_endo -75.06 42.48 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 0.0 110.944 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.419 ' H ' ' C ' ' A' ' 28' ' ' THR . 3.2 mm-40 -137.56 6.59 2.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.349 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.409 ' NZ ' HD23 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -67.42 164.43 18.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.103 . . . . 0.0 109.326 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.573 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -126.03 14.16 7.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.573 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.5 t80 80.39 -37.46 0.15 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.47 ' CG2' ' HA ' ' A' ' 40' ' ' ASP . 1.1 t -137.55 -56.11 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.469 ' CB ' ' HB3' ' A' ' 32' ' ' SER . 11.2 t0 -38.13 -31.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -106.17 -67.63 0.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.409 HD23 ' NZ ' ' A' ' 31' ' ' LYS . 91.0 mt -42.93 -53.68 4.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.9 OUTLIER 65.24 15.51 10.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.569 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -96.73 -15.78 7.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.569 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 3.4 t70 88.18 -170.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.5 p -90.1 1.01 56.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.028 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.02 -70.25 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.512 ' OG ' ' CG1' ' A' ' 19' ' ' VAL . 14.6 t -63.0 -46.36 88.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.018 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.33 -32.15 10.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.2 t -63.13 -34.1 64.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.51 -54.95 7.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.093 . . . . 0.0 110.286 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.514 HG13 ' CG2' ' A' ' 19' ' ' VAL . 3.9 mt -43.93 -37.59 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.26 -47.19 18.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -47.61 -28.02 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 54' ' ' LYS . 41.1 mt-30 -88.09 -59.61 2.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.411 1.069 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.3 m -51.85 -37.77 53.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.403 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -75.31 -2.69 29.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.632 1.208 . . . . 0.0 110.347 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.48 -62.55 1.57 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' GLN . 6.5 mtpp -42.7 -40.78 2.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 0.0 109.323 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -103.68 -38.84 6.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.42 31.26 9.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 30.8 m -75.34 152.46 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 0.771 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.5 108.83 21.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.47 ' CG2' HD11 ' A' ' 67' ' ' LEU . 4.5 mt -144.3 63.87 11.67 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.431 ' HD3' ' N ' ' A' ' 59' ' ' ILE . 18.4 Cg_endo -75.0 173.22 14.89 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.49 1.784 . . . . 0.0 111.04 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.421 ' C ' ' N ' ' A' ' 63' ' ' ASP . 0.4 OUTLIER -52.43 -39.59 61.19 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -41.97 -27.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.295 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.702 ' CB ' ' CE2' ' A' ' 76' ' ' TYR . 0.2 OUTLIER -120.57 -45.41 2.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.259 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -46.1 -26.07 0.69 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.276 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.41 -43.64 63.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . -74.77 -47.09 15.53 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.562 1.164 . . . . 0.0 110.964 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.483 ' HB3' ' CG2' ' A' ' 73' ' ' VAL . 27.2 mt -39.29 128.21 1.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.97 -48.01 2.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 110.23 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 73.5 p -125.63 168.88 13.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.409 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 74' ' ' VAL . 14.4 t -51.22 -44.09 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.404 ' O ' ' HB2' ' A' ' 75' ' ' ALA . . . -54.88 -33.58 56.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -85.31 -28.73 25.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.267 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.483 ' CG2' ' HB3' ' A' ' 67' ' ' LEU . 14.2 t -82.87 -13.5 12.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.422 1.077 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.534 ' CG1' ' CD1' ' A' ' 8' ' ' ILE . 90.0 t -97.33 -51.54 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.47 ' HB2' ' CB ' ' A' ' 88' ' ' ALA . . . -44.03 -58.13 2.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.702 ' CE2' ' CB ' ' A' ' 63' ' ' ASP . 7.8 t80 -46.33 -25.04 0.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 111.028 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.416 ' N ' ' O ' ' A' ' 74' ' ' VAL . 4.8 mt -80.05 -75.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 79' ' ' LYS . 40.2 mt-30 -54.35 -52.32 61.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 75' ' ' ALA . 10.4 mmmt -38.94 -48.61 1.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.196 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.55 -52.06 11.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.435 1.084 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.12 -64.64 0.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -111.53 -98.22 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.246 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -154.17 -71.89 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.4 t30 69.96 67.96 0.42 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 54.13 3.54 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.564 1.823 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -138.68 -63.55 0.54 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.276 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -178.66 -83.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.222 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.47 ' CB ' ' HB2' ' A' ' 75' ' ' ALA . . . -179.41 41.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.376 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.484 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 11.6 mt-30 68.54 132.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.263 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 89' ' ' GLN . . . 82.26 47.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.481 ' CD2' ' O ' ' A' ' 94' ' ' LYS . 0.6 OUTLIER -130.56 119.69 22.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.405 ' N ' HD13 ' A' ' 91' ' ' LEU . 0.4 OUTLIER -159.43 54.57 0.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.25 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -173.1 -64.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.481 ' O ' ' CD2' ' A' ' 91' ' ' LEU . 10.3 mttm -139.15 134.29 32.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 28.6 mm -59.43 -82.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -42.79 -60.24 1.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.25 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.3 m -68.76 69.96 0.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.463 ' HA ' ' CD2' ' A' ' 91' ' ' LEU . 38.8 mt-10 -54.72 138.66 41.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.335 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 178.69 135.06 0.24 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.428 ' O ' ' O ' ' A' ' 101' ' ' ASP . 18.5 Cg_endo -74.95 73.69 4.22 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.525 1.803 . . . . 0.0 111.027 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.428 ' O ' ' O ' ' A' ' 100' ' ' PRO . 2.1 t70 60.61 143.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.589 1.181 . . . . 0.0 109.249 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -175.22 49.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.454 HG11 ' N ' ' A' ' 104' ' ' ALA . 2.5 p 44.64 -167.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.356 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.454 ' N ' HG11 ' A' ' 103' ' ' VAL . . . -160.87 -57.02 0.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 109.35 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -52.09 143.56 13.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 109.345 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -128.34 -179.86 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -165.57 108.6 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.334 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -172.08 47.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -143.33 71.52 1.34 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.536 1.147 . . . . 0.0 110.299 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 12.8 tp -93.53 147.15 23.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -150.24 105.56 3.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -133.25 168.09 19.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.279 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 76.45 22.66 1.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 110.296 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 71.5 m -120.44 125.82 48.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.046 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mtt . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.464 0.173 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 3' ' ' VAL . 18.1 Cg_endo -75.02 169.05 23.48 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.468 1.773 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 2' ' ' PRO . 0.3 OUTLIER -39.94 145.79 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.413 HG22 ' N ' ' A' ' 5' ' ' GLN . 0.4 OUTLIER -170.83 164.81 7.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.426 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.458 ' CD ' ' NE2' ' A' ' 89' ' ' GLN . 5.8 tp60 -43.11 -73.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -48.89 -21.91 0.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.334 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 5' ' ' GLN . 1.6 mm-40 -74.96 -42.2 58.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.52 1.137 . . . . 0.0 110.266 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.547 ' CD1' ' CG1' ' A' ' 74' ' ' VAL . 4.1 mt -93.7 -3.77 10.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 109.339 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.448 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 2.5 mt -105.94 -40.94 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 6' ' ' GLU . . . -93.39 -35.05 13.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.248 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.72 -40.17 65.69 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.47 1.106 . . . . 0.0 110.985 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -78.14 -53.21 14.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.436 0.727 . . . . 0.0 109.36 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.457 ' HB1' ' CG2' ' A' ' 27' ' ' ILE . . . -42.65 -48.29 5.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.55 -45.95 84.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.272 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.3 mt -64.16 -43.56 97.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.39 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.452 ' O ' ' OG1' ' A' ' 20' ' ' THR . 4.8 mt -53.31 -34.87 23.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.409 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 0.8 OUTLIER -73.38 0.33 12.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.597 1.186 . . . . 0.0 110.297 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -106.31 -45.74 4.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.528 ' CG1' ' OG ' ' A' ' 43' ' ' SER . 2.8 t -82.76 -67.6 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 16' ' ' ILE . 36.6 p -73.21 -28.13 62.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 110.395 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.49 22.61 66.95 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.419 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 44.2 mt -82.7 165.63 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.247 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.419 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 0.4 OUTLIER -69.55 151.79 96.52 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -49.29 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.428 1.752 . . . . 0.0 110.966 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.13 -23.97 65.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.995 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -62.5 -43.83 97.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.231 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.457 ' CG2' ' HB1' ' A' ' 13' ' ' ALA . 0.7 OUTLIER -62.99 132.58 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.424 ' C ' ' H ' ' A' ' 30' ' ' GLU . 0.8 OUTLIER -147.25 166.23 16.73 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.431 1.082 . . . . 0.0 110.406 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 42.22 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.536 1.809 . . . . 0.0 111.036 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.424 ' H ' ' C ' ' A' ' 28' ' ' THR . 1.7 mt-10 -137.56 6.66 2.75 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.495 1.122 . . . . 0.0 110.258 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.64 164.62 24.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.578 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -124.16 13.99 9.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.99 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.578 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.3 t80 80.72 -37.1 0.13 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.468 ' CG2' ' HA ' ' A' ' 40' ' ' ASP . 1.1 t -137.74 -56.09 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.47 ' CB ' ' HB3' ' A' ' 32' ' ' SER . 3.3 t70 -37.64 -32.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -105.75 -67.56 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.6 mt -41.32 -53.71 3.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 65.35 14.64 9.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.588 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -95.75 -20.78 5.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.588 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 6.9 t0 89.27 -170.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.8 p -88.48 3.19 51.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 110.083 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.73 -70.77 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.419 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.528 ' OG ' ' CG1' ' A' ' 19' ' ' VAL . 1.7 t -64.95 -45.8 84.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.55 1.156 . . . . 0.0 110.036 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.418 ' SD ' ' CE1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -50.19 -34.5 22.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.953 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -59.34 -37.01 67.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.44 -54.19 10.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.145 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.512 HG13 ' CG2' ' A' ' 19' ' ' VAL . 3.2 mt -44.03 -34.98 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.92 -46.67 13.73 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -50.31 -24.34 2.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 54' ' ' LYS . 40.3 mt-30 -91.14 -59.99 2.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.4 m -51.93 -37.77 53.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.421 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.479 ' CG ' HG23 ' A' ' 57' ' ' VAL . 14.4 mt-10 -76.25 -2.38 31.11 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.441 1.088 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.53 -62.0 1.66 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' GLN . 1.8 mtpp -41.69 -42.02 2.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.417 1.073 . . . . 0.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -104.89 -50.3 3.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 111.039 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 110.06 18.67 8.6 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.453 1.096 . . . . 0.0 111.03 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.479 HG23 ' CG ' ' A' ' 52' ' ' GLU . 12.9 m -54.06 149.07 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 0.748 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.81 102.74 13.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.448 ' CD1' HD11 ' A' ' 77' ' ' ILE . 49.8 mt -143.81 73.3 16.87 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.05 170.85 19.5 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.464 1.771 . . . . 0.0 110.945 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.411 ' C ' ' N ' ' A' ' 63' ' ' ASP . 0.2 OUTLIER -56.45 -40.15 74.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.69 -24.46 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.68 ' CB ' ' CE2' ' A' ' 76' ' ' TYR . 0.2 OUTLIER -115.7 -39.81 3.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.27 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.447 HD11 ' CZ ' ' A' ' 33' ' ' PHE . 0.7 OUTLIER -53.35 -20.91 4.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.82 -41.76 59.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -76.29 -45.96 13.67 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.43 1.081 . . . . 0.0 110.963 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.485 HD11 ' CG1' ' A' ' 73' ' ' VAL . 19.3 mt -39.57 118.51 0.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 0.751 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.69 -38.97 5.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 45.4 p -131.63 169.84 15.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 110.421 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.494 ' O ' ' N ' ' A' ' 74' ' ' VAL . 7.7 t -56.44 -51.16 68.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.262 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -44.55 -32.76 2.97 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.52 1.137 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -86.52 -34.65 19.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 109.296 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.485 ' CG1' HD11 ' A' ' 67' ' ' LEU . 16.7 t -76.8 -11.29 13.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.385 1.053 . . . . 0.0 109.382 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.547 ' CG1' ' CD1' ' A' ' 8' ' ' ILE . 74.8 t -100.61 -57.64 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.486 ' HB1' ' CD ' ' A' ' 79' ' ' LYS . . . -45.27 -54.61 6.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 109.36 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.68 ' CE2' ' CB ' ' A' ' 63' ' ' ASP . 2.2 t80 -47.83 -24.1 0.91 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.448 HD11 ' CD1' ' A' ' 59' ' ' ILE . 12.2 mt -84.11 -68.16 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 81' ' ' GLU . 69.8 mt-30 -59.11 -60.18 4.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.486 ' CD ' ' HB1' ' A' ' 75' ' ' ALA . 1.7 mtpt -42.46 -37.28 1.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.1 -48.5 81.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 78' ' ' GLN . 1.4 mm-40 -71.38 -82.3 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 169.33 88.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.253 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -136.85 -72.98 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -126.84 72.13 75.03 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.447 1.092 . . . . 0.0 109.363 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 52.19 2.97 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.492 1.785 . . . . 0.0 110.996 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -142.57 -54.96 0.42 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 110.323 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.431 ' O ' ' O ' ' A' ' 88' ' ' ALA . . . -161.27 126.98 3.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 109.224 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.476 ' CB ' ' HB2' ' A' ' 75' ' ' ALA . . . -42.27 164.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.382 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.495 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -80.71 86.36 5.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.384 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 89' ' ' GLN . . . 163.89 45.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.343 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -137.08 147.55 46.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.329 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.23 46.05 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 0.0 110.335 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.402 ' HB2' ' CB ' ' A' ' 98' ' ' GLU . . . -170.31 -69.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.65 175.19 5.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.2 mp -79.88 -58.88 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.62 -76.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 110.281 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.21 124.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 110.033 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.402 ' CB ' ' HB2' ' A' ' 93' ' ' ALA . 3.6 tm-20 -114.13 -55.11 2.53 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.559 1.162 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 173.57 124.09 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.466 ' HB3' ' CA ' ' A' ' 90' ' ' ALA . 18.1 Cg_endo -74.97 -6.73 18.45 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.492 1.785 . . . . 0.0 110.964 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -168.18 125.22 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -162.79 41.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.38 1.05 . . . . 0.0 109.338 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.4 ' O ' ' CB ' ' A' ' 104' ' ' ALA . 3.1 t -136.84 163.03 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.25 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 106' ' ' VAL . . . 77.94 31.47 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -56.51 89.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.426 ' N ' ' O ' ' A' ' 104' ' ' ALA . 19.9 t -124.64 170.57 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.475 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 0.0 OUTLIER -134.78 -155.08 0.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 110.315 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.475 ' CB ' ' O ' ' A' ' 107' ' ' GLN . . . 81.84 39.47 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -111.68 46.75 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.241 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 41.0 tp -126.61 145.89 50.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -138.74 111.54 7.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -166.13 125.5 1.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -162.87 -60.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.341 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.1 m 56.2 165.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.974 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.1 tttp . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.257 -179.899 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.8 mtt . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.559 0.219 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 177.06 9.07 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.51 1.795 . . . . 0.0 111.005 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.575 ' HB ' ' CE2' ' A' ' 55' ' ' TYR . 8.0 p -127.61 97.34 3.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.133 . . . . 0.0 109.365 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.0 t -88.17 -175.86 5.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.107 . . . . 0.0 110.444 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.482 ' NE2' ' NE2' ' A' ' 89' ' ' GLN . 2.0 tp60 -58.61 -64.12 1.04 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.571 1.169 . . . . 0.0 110.32 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.539 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -51.99 -18.47 1.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.073 . . . . 0.0 110.333 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.42 -44.1 46.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.504 ' CD1' HG13 ' A' ' 74' ' ' VAL . 5.8 mt -92.92 -4.23 10.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.472 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 2.7 mt -105.37 -41.67 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.597 1.186 . . . . 0.0 109.23 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.539 ' CB ' ' O ' ' A' ' 6' ' ' GLU . . . -92.96 -34.78 13.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.565 1.166 . . . . 0.0 109.36 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.37 -39.54 70.12 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.546 1.154 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.1 mt -79.66 -53.48 13.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 0.764 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 9' ' ' ILE . . . -42.46 -47.0 4.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -59.64 -46.02 90.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.354 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.408 HG22 ' CG1' ' A' ' 47' ' ' ILE . 26.5 mt -63.45 -40.49 89.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.425 ' HA ' ' CD1' ' A' ' 47' ' ' ILE . 5.0 mt -57.16 -34.7 46.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.499 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 1.3 tm-20 -75.09 -0.3 18.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.259 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -104.58 -45.22 4.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 110.271 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.509 ' CG1' ' OG ' ' A' ' 43' ' ' SER . 2.5 t -83.51 -68.18 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.404 HG21 ' OG ' ' A' ' 43' ' ' SER . 19.8 p -72.01 -27.36 62.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.557 1.16 . . . . 0.0 110.418 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.57 21.63 68.9 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.549 1.156 . . . . 0.0 111.062 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.499 ' O ' ' CB ' ' A' ' 17' ' ' GLU . 44.2 mt -81.53 167.2 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.445 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 0.3 OUTLIER -71.6 151.58 93.69 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.286 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -49.33 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.487 1.782 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.52 -23.5 65.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.971 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -62.76 -43.45 98.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.339 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.453 ' N ' ' CD1' ' A' ' 27' ' ' ILE . 0.7 OUTLIER -62.7 142.21 16.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.26 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.414 ' C ' ' H ' ' A' ' 30' ' ' GLU . 0.8 OUTLIER -156.88 166.39 16.73 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 0.0 110.389 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 43.07 0.92 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.473 1.775 . . . . 0.0 111.027 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.414 ' H ' ' C ' ' A' ' 28' ' ' THR . 2.6 mm-40 -137.11 6.19 2.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.224 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.409 ' O ' ' CG2' ' A' ' 69' ' ' THR . 0.4 OUTLIER -67.81 167.68 12.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.566 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -132.93 20.28 4.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.995 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.612 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 0.5 OUTLIER 80.09 -40.12 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.905 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.485 ' CG2' ' HA ' ' A' ' 40' ' ' ASP . 1.0 OUTLIER -138.23 -54.61 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.477 ' CB ' ' HB3' ' A' ' 32' ' ' SER . 4.9 t70 -37.96 -31.7 0.05 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER -106.67 -67.63 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.465 HD11 ' CG ' ' A' ' 44' ' ' MET . 81.9 mt -44.04 -52.52 7.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.5 OUTLIER 63.45 14.37 7.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.386 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.596 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -93.99 -20.93 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.596 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 7.9 t0 89.58 -172.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.511 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 83.1 p -87.8 2.83 50.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.994 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.28 -71.7 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.509 ' OG ' ' CG1' ' A' ' 19' ' ' VAL . 0.9 OUTLIER -66.46 -40.42 89.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.993 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.612 ' SD ' ' CD1' ' A' ' 33' ' ' PHE . 6.3 mtm -53.13 -34.99 59.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.59 1.181 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.511 ' CG2' ' O ' ' A' ' 41' ' ' SER . 2.0 t -59.64 -38.17 74.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.407 ' CB ' HG13 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -69.87 -54.89 11.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 110.292 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.495 HG13 ' CG2' ' A' ' 19' ' ' VAL . 2.4 mt -47.04 -31.01 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.456 ' CB ' ' OE1' ' A' ' 52' ' ' GLU . . . -84.9 -48.1 9.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -49.27 -24.24 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 54' ' ' LYS . 44.9 mt-30 -90.1 -60.41 1.94 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.343 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -51.61 -39.19 57.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.412 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.469 ' CG ' HG21 ' A' ' 57' ' ' VAL . 4.8 mt-10 -74.45 -2.31 24.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.599 1.187 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 54' ' ' LYS . 0.5 OUTLIER -116.15 -61.19 1.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 50' ' ' GLN . 13.0 mttt -40.11 -41.4 1.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.575 ' CE2' ' HB ' ' A' ' 3' ' ' VAL . 32.2 t80 -106.67 -47.9 3.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 106.38 26.93 5.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.469 HG21 ' CG ' ' A' ' 52' ' ' GLU . 18.7 m -63.01 149.95 9.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.479 0.753 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.34 113.82 27.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 27.2 mt -151.2 73.65 8.4 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 170.6 20.06 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.518 1.799 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.78 -40.74 80.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.226 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -50.09 -22.06 1.51 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 110.352 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.562 ' CG ' ' CZ ' ' A' ' 76' ' ' TYR . 0.1 OUTLIER -113.39 -34.07 5.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.562 HD11 ' CZ ' ' A' ' 33' ' ' PHE . 0.8 OUTLIER -58.85 -16.44 17.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.48 -26.44 60.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.253 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.08 -58.7 1.14 Allowed Glycine 0 CA--C 1.528 0.892 0 O-C-N 124.488 1.118 . . . . 0.0 110.973 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.489 ' CD1' ' HA ' ' A' ' 73' ' ' VAL . 11.0 mt -45.3 118.48 1.73 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.375 0.691 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.72 -56.55 2.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 110.3 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.417 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 78.3 p -97.56 174.01 6.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.354 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.428 ' O ' ' CG2' ' A' ' 74' ' ' VAL . 2.5 t -64.33 -36.95 78.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.72 -20.83 68.63 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -98.78 -30.46 12.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.782 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.489 ' HA ' ' CD1' ' A' ' 67' ' ' LEU . 34.3 t -84.59 -12.89 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.504 HG13 ' CD1' ' A' ' 8' ' ' ILE . 45.8 t -98.44 -47.15 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.53 ' O ' ' N ' ' A' ' 79' ' ' LYS . . . -44.56 -56.91 3.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 109.273 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.562 ' CZ ' ' CG ' ' A' ' 63' ' ' ASP . 5.6 t80 -49.18 -20.9 0.66 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.418 1.074 . . . . 0.0 110.989 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.461 ' N ' ' O ' ' A' ' 74' ' ' VAL . 3.2 mt -83.02 -67.22 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' A' ' 81' ' ' GLU . 52.2 mt-30 -65.99 -51.98 53.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.53 ' N ' ' O ' ' A' ' 75' ' ' ALA . 18.1 mmtm -39.67 -54.26 2.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.87 -41.28 91.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 78' ' ' GLN . 0.0 OUTLIER -55.26 -51.7 65.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.288 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.5 ' O ' ' CG ' ' A' ' 83' ' ' GLU . 1.4 pt-20 -116.04 -101.49 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 82' ' ' GLU . 37.0 mt-10 -159.37 -79.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.483 ' HB3' ' CD ' ' A' ' 79' ' ' LYS . 2.2 t30 63.87 79.74 0.25 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 55.05 3.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.473 1.775 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.45 ' CG ' HD21 ' A' ' 91' ' ' LEU . 1.8 tp10 -139.19 -71.8 0.4 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.588 1.18 . . . . 0.0 110.277 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.412 ' CB ' ' HG ' ' A' ' 91' ' ' LEU . . . -177.85 -72.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.452 ' CB ' ' HB2' ' A' ' 75' ' ' ALA . . . 176.15 -166.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.348 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.482 ' NE2' ' NE2' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -82.96 84.04 7.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 179.95 -57.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.262 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.45 HD21 ' CG ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -60.93 168.02 2.59 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.448 1.093 . . . . 0.0 109.303 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.423 ' N ' ' CD2' ' A' ' 91' ' ' LEU . 1.5 ptt85 178.17 44.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.171 . . . . 0.0 110.311 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . 179.0 -57.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -99.3 176.76 5.42 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.553 1.158 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.9 mp -73.68 -71.26 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.32 -78.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.64 117.6 0.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.953 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -157.46 24.48 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -41.53 101.7 0.25 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 71.58 4.93 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.506 1.793 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.41 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 1.9 t0 -162.14 -67.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.41 ' CB ' ' O ' ' A' ' 101' ' ' ASP . . . 77.6 35.89 0.29 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.8 t -62.8 162.11 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.256 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -172.56 -48.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 9.6 t30 168.96 131.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.255 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -143.81 176.03 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -179.0 97.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -173.89 37.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.33 52.19 1.32 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.429 1.081 . . . . 0.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.45 169.12 10.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -141.39 82.12 1.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -145.93 89.35 1.88 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -147.22 -67.0 0.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 75.0 m 61.9 167.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.982 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.8 ttpp . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.352 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.574 0.226 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -163.08 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.478 1.778 . . . . 0.0 111.075 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.1 p -147.8 51.81 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.238 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.5 t -77.97 -177.88 5.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 110.36 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.474 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 4.5 tp60 -50.79 -68.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.268 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.526 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -49.6 -20.62 0.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.287 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.442 ' CG ' ' OH ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -74.77 -45.88 40.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.276 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.48 HD12 ' CG1' ' A' ' 74' ' ' VAL . 5.0 mt -90.71 -2.91 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.486 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 2.8 mt -106.32 -42.04 6.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.526 ' CB ' ' O ' ' A' ' 6' ' ' GLU . . . -92.94 -36.86 12.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.69 -42.91 78.21 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -75.6 -53.33 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 9' ' ' ILE . . . -42.24 -47.05 4.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.28 -47.35 81.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.345 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.421 HG22 ' NE2' ' A' ' 50' ' ' GLN . 49.2 mt -64.57 -43.85 96.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 109.242 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.491 ' O ' ' OG1' ' A' ' 20' ' ' THR . 7.6 mt -53.02 -36.39 24.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.498 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 4.6 tm-20 -72.01 -0.23 11.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -105.85 -45.79 4.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.358 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.512 ' CG2' HG13 ' A' ' 47' ' ' ILE . 2.5 t -83.18 -68.59 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.491 ' OG1' ' O ' ' A' ' 16' ' ' ILE . 68.4 p -70.44 -27.95 64.66 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.553 1.158 . . . . 0.0 110.368 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.92 32.82 52.31 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.471 1.107 . . . . 0.0 111.042 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.498 ' O ' ' CB ' ' A' ' 17' ' ' GLU . 42.1 mt -93.95 166.95 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.513 0.772 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.455 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 1.7 mt-10 -69.42 153.08 96.15 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -50.06 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.382 1.727 . . . . 0.0 110.963 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.54 -22.27 63.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.985 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -65.29 -49.58 68.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 110.234 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.473 ' CG2' ' HB3' ' A' ' 13' ' ' ALA . 0.8 OUTLIER -55.38 120.34 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 p -126.55 164.37 34.86 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.46 1.1 . . . . 0.0 110.408 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 0.27 9.14 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.469 1.773 . . . . 0.0 110.959 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.57 3.33 52.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.99 169.82 3.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.559 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -126.42 9.29 7.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.967 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.559 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.0 OUTLIER 79.7 -36.04 0.15 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.468 ' CG2' ' HA ' ' A' ' 40' ' ' ASP . 1.1 t -135.94 -57.04 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.468 ' CB ' ' HB3' ' A' ' 32' ' ' SER . 4.3 t0 -39.63 -30.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.354 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.438 ' N ' ' C ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER -105.43 -68.15 0.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.468 HD23 ' CD1' ' A' ' 22' ' ' ILE . 97.7 mt -44.52 -56.33 4.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.8 OUTLIER 70.08 15.07 7.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.579 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -94.59 -18.57 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.333 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.579 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 3.3 t70 88.96 -170.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.524 1.14 . . . . 0.0 109.238 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.4 m -89.53 3.87 51.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.998 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.54 -65.89 0.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.172 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.512 ' OG ' ' CG1' ' A' ' 19' ' ' VAL . 0.9 OUTLIER -63.38 -50.75 68.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.572 ' SD ' ' CG2' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -42.53 -42.89 3.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 2.6 t -52.88 -38.13 27.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 43' ' ' SER . 0.0 OUTLIER -72.81 -53.05 12.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.512 HG13 ' CG2' ' A' ' 19' ' ' VAL . 2.7 mt -45.92 -32.88 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.402 ' C ' ' N ' ' A' ' 50' ' ' GLN . . . -79.22 -51.36 9.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' ' 50' ' ' GLN . 0.3 OUTLIER -46.98 -25.84 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.076 . . . . 0.0 109.27 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 54' ' ' LYS . 40.8 mt-30 -90.02 -59.65 2.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.557 1.161 . . . . 0.0 110.239 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.9 m -52.05 -37.02 52.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.421 1.076 . . . . 0.0 110.421 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.29 0.85 20.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.348 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.45 -63.12 1.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 50' ' ' GLN . 7.4 mttp -49.07 -41.08 34.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.442 ' OH ' ' CG ' ' A' ' 7' ' ' GLU . 0.6 OUTLIER -105.08 -44.02 4.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.932 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.5 26.57 10.73 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.525 1.14 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.8 m -55.9 -172.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.469 ' CE ' ' HG ' ' A' ' 80' ' ' LEU . 0.5 OUTLIER -135.48 107.74 7.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.467 ' CG1' ' O ' ' A' ' 58' ' ' LYS . 24.0 mt -154.79 83.9 3.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 169.23 23.05 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.542 1.812 . . . . 0.0 110.991 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.67 -40.58 97.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -55.41 -17.77 5.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.354 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.598 ' CG ' ' CE2' ' A' ' 76' ' ' TYR . 0.4 OUTLIER -111.37 -32.74 6.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.444 HD22 ' CG2' ' A' ' 59' ' ' ILE . 0.6 OUTLIER -58.64 -17.11 19.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.33 -33.41 55.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -82.0 -44.1 7.83 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.641 ' CD2' ' CD2' ' A' ' 76' ' ' TYR . 11.5 mt -39.88 111.97 0.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 0.778 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.35 -38.12 5.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.335 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.458 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 46.8 p -136.34 175.7 9.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.458 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 74' ' ' VAL . 5.3 t -57.75 -47.66 85.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -50.83 -39.13 38.84 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -80.62 -30.71 36.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 0.782 . . . . 0.0 109.347 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.476 ' CG1' HD11 ' A' ' 67' ' ' LEU . 44.2 t -78.43 -13.62 13.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.48 ' CG1' HD12 ' A' ' 8' ' ' ILE . 93.5 t -97.03 -56.74 4.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.482 ' CB ' ' HB2' ' A' ' 88' ' ' ALA . . . -46.86 -56.26 6.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.641 ' CD2' ' CD2' ' A' ' 67' ' ' LEU . 1.9 m-30 -42.29 -28.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 110.951 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.439 ' CD1' HD11 ' A' ' 59' ' ' ILE . 5.3 mt -81.65 -77.42 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.414 1.071 . . . . 0.0 109.355 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 79' ' ' LYS . 45.9 mt-30 -49.33 -53.22 23.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -39.28 -52.74 1.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.361 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.469 ' HG ' ' CE ' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -69.61 -48.76 58.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -44.73 -65.32 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.348 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -109.9 -98.27 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.269 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -153.98 -73.74 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.588 1.18 . . . . 0.0 110.286 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.0 t30 63.75 73.07 0.5 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 54.81 3.74 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.447 1.761 . . . . 0.0 111.021 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -138.98 -66.66 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 110.317 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.458 ' HB2' ' CB ' ' A' ' 91' ' ' LEU . . . 179.18 -71.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.487 ' O ' ' C ' ' A' ' 89' ' ' GLN . . . 174.74 86.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.487 ' C ' ' O ' ' A' ' 88' ' ' ALA . 9.2 pt20 30.9 56.53 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.286 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.426 ' CB ' ' O ' ' A' ' 89' ' ' GLN . . . 168.41 62.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 109.228 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.458 ' CB ' ' HB2' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -175.21 148.32 0.97 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -158.52 48.99 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.276 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -166.57 -66.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.367 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -163.59 144.06 8.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.7 mp -41.24 -65.0 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.102 . . . . 0.0 109.261 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 98' ' ' GLU . 0.8 OUTLIER -67.18 -58.67 4.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.253 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.9 m -66.27 72.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.138 . . . . 0.0 109.964 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 96' ' ' GLU . 14.9 mt-10 -48.41 156.7 0.4 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.576 1.172 . . . . 0.0 110.267 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 24.3 p-10 -51.59 137.69 32.05 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.434 ' O ' ' N ' ' A' ' 103' ' ' VAL . 18.5 Cg_endo -74.99 56.03 4.12 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.48 1.779 . . . . 0.0 111.022 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.444 ' CG ' ' O ' ' A' ' 101' ' ' ASP . 11.1 t0 51.72 21.22 1.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 76.02 32.86 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 100' ' ' PRO . 47.3 t -101.95 166.9 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.203 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 105' ' ' ASN . . . 179.84 38.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.483 1.115 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.417 ' ND2' ' HB3' ' A' ' 108' ' ' ALA . 2.6 t-20 61.26 121.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 38.0 t -119.68 -5.31 10.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.22 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 177.53 125.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.288 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.417 ' HB3' ' ND2' ' A' ' 105' ' ' ASN . . . 172.84 40.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.19 65.78 1.35 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 110.343 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.4 tt -64.1 147.55 51.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -140.11 101.17 4.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.343 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -120.54 145.51 47.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.253 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 179.79 53.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.376 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.72 172.5 2.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.951 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 22.7 tttt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.243 -179.928 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.412 ' N ' ' HD3' ' A' ' 2' ' ' PRO . 28.8 mtt . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.484 0.183 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.412 ' HD3' ' N ' ' A' ' 1' ' ' MET . 18.2 Cg_endo -75.0 -162.98 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.484 1.781 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.5 p -142.51 52.3 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 t -77.36 -176.57 4.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.121 . . . . 0.0 110.444 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.467 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 5.4 tp60 -53.21 -67.96 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.242 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.529 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -50.77 -19.83 1.08 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.442 1.089 . . . . 0.0 110.338 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.79 -44.18 50.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.525 ' CD1' ' CG1' ' A' ' 74' ' ' VAL . 5.4 mt -92.79 -3.69 10.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.467 ' CD1' ' HG3' ' A' ' 5' ' ' GLN . 2.8 mt -106.03 -42.84 6.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 109.201 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 6' ' ' GLU . . . -91.74 -34.38 14.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.456 1.097 . . . . 0.0 109.342 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -71.09 -42.21 59.17 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 0.0 110.954 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -74.33 -53.26 17.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.506 0.768 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.78 -46.2 5.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -56.92 -47.89 79.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.336 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.6 mt -64.45 -42.78 96.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.463 ' O ' ' OG1' ' A' ' 20' ' ' THR . 6.0 mt -53.09 -35.85 23.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.445 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 2.0 tm-20 -72.55 0.4 10.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.356 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.0 -42.89 4.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.507 ' CG1' ' OG ' ' A' ' 43' ' ' SER . 2.8 t -84.82 -65.06 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' A' ' 16' ' ' ILE . 68.8 p -76.08 -25.77 55.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.387 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.55 23.4 73.17 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.618 1.198 . . . . 0.0 111.005 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.445 ' O ' ' CB ' ' A' ' 17' ' ' GLU . 54.8 mt -84.66 165.34 2.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 0.784 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.42 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 3.5 mt-10 -68.36 152.93 96.25 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.329 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -49.94 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.477 1.777 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.16 -23.88 65.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.037 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -60.52 -41.79 95.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.316 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.487 ' N ' ' CD1' ' A' ' 27' ' ' ILE . 0.7 OUTLIER -64.59 135.36 28.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.415 ' C ' ' H ' ' A' ' 30' ' ' GLU . 1.0 OUTLIER -145.07 165.16 23.23 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 110.431 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 43.27 0.94 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.52 1.8 . . . . 0.0 111.032 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.415 ' H ' ' C ' ' A' ' 28' ' ' THR . 0.4 OUTLIER -141.11 9.32 2.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 110.322 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.83 165.98 18.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.204 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.541 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -129.26 12.2 6.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.101 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.541 ' CB ' ' O ' ' A' ' 32' ' ' SER . 0.7 OUTLIER 78.18 -28.55 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 111.023 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.469 ' CG2' ' HA ' ' A' ' 40' ' ' ASP . 0.9 OUTLIER -141.07 -58.56 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.426 ' N ' HG13 ' A' ' 34' ' ' VAL . 7.7 t70 -39.11 -31.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.442 ' N ' ' C ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -106.65 -65.83 1.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 81.3 mt -44.98 -52.5 8.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 34' ' ' VAL . 3.7 t0 64.03 16.41 9.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.555 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -99.21 -17.03 6.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.555 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 5.6 t70 87.14 -170.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.155 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.505 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 19.7 p -88.53 5.08 44.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 110.033 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.53 -68.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.25 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.507 ' OG ' ' CG1' ' A' ' 19' ' ' VAL . 23.1 t -64.67 -46.94 80.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.004 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.54 ' SD ' ' CE1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -46.7 -36.87 7.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 41' ' ' SER . 2.6 t -60.8 -33.89 57.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.433 ' HB3' ' CG1' ' A' ' 19' ' ' VAL . 0.2 OUTLIER -73.04 -54.03 9.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.505 HG13 ' CG2' ' A' ' 19' ' ' VAL . 3.8 mt -44.11 -40.71 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.406 ' C ' ' N ' ' A' ' 50' ' ' GLN . . . -72.67 -50.49 24.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 109.237 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -47.13 -26.07 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 54' ' ' LYS . 45.4 mt-30 -89.06 -59.86 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.9 m -51.65 -38.55 55.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 110.373 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.446 ' HG3' ' CG2' ' A' ' 57' ' ' VAL . 1.0 OUTLIER -74.99 -1.4 22.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.376 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.85 -63.25 1.45 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 0.0 109.334 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 50' ' ' GLN . 24.7 mttt -46.28 -42.14 14.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -103.89 -49.2 3.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.52 19.08 11.67 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.526 1.141 . . . . 0.0 111.036 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.446 ' CG2' ' HG3' ' A' ' 52' ' ' GLU . 2.7 m -57.45 156.32 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.76 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.99 101.12 12.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.477 HD11 ' CD1' ' A' ' 77' ' ' ILE . 43.0 mt -149.92 70.02 9.31 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 169.07 23.44 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.483 1.781 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.53 -40.81 65.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -52.88 -19.9 2.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.604 ' CG ' ' CD2' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -113.19 -33.94 5.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.273 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.74 -15.36 28.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.36 -38.68 34.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.125 . . . . 0.0 109.248 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -79.17 -43.92 10.24 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.525 1.141 . . . . 0.0 111.047 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.624 ' CD2' ' CD2' ' A' ' 76' ' ' TYR . 13.2 mt -39.8 109.76 0.12 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 0.754 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.36 -38.45 6.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 110.261 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.456 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 46.7 p -135.94 173.72 11.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 110.408 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 74' ' ' VAL . 6.7 t -56.47 -49.32 77.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -49.36 -37.5 25.19 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.47 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 1.9 t70 -81.83 -26.78 34.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 0.729 . . . . 0.0 109.231 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.474 ' CG1' HD11 ' A' ' 67' ' ' LEU . 29.8 t -82.99 -13.55 12.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.372 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.525 ' CG1' ' CD1' ' A' ' 8' ' ' ILE . 92.3 t -96.87 -52.9 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.25 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.534 ' CB ' ' CB ' ' A' ' 88' ' ' ALA . . . -52.03 -55.5 20.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.624 ' CD2' ' CD2' ' A' ' 67' ' ' LEU . 1.8 m-85 -42.07 -23.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 111.008 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.477 ' CD1' HD11 ' A' ' 59' ' ' ILE . 4.4 mt -82.59 -70.97 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 81' ' ' GLU . 36.0 mt-30 -61.41 -52.17 65.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.521 ' N ' ' O ' ' A' ' 75' ' ' ALA . 4.0 mmtm -39.74 -53.41 2.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.72 -41.88 87.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.247 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 78' ' ' GLN . 0.3 OUTLIER -57.88 -47.65 82.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 110.299 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.531 ' O ' ' CG ' ' A' ' 83' ' ' GLU . 1.8 pt-20 -114.54 -104.52 0.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.531 ' CG ' ' O ' ' A' ' 82' ' ' GLU . 36.5 mt-10 -160.53 -79.07 0.05 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.509 ' N ' ' HD3' ' A' ' 85' ' ' PRO . 2.2 t30 60.42 59.94 3.87 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.416 1.072 . . . . 0.0 109.345 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.509 ' HD3' ' N ' ' A' ' 84' ' ' ASN . 18.2 Cg_endo -74.97 52.92 3.17 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.558 1.82 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.416 ' O ' ' HB2' ' A' ' 87' ' ' ALA . 0.8 OUTLIER -141.36 -64.15 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 110.293 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.416 ' HB2' ' O ' ' A' ' 86' ' ' GLU . . . -177.81 134.15 0.16 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.534 ' CB ' ' CB ' ' A' ' 75' ' ' ALA . . . -51.58 -176.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.498 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -90.06 112.76 24.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 89' ' ' GLN . . . 162.45 -28.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.598 1.186 . . . . 0.0 109.26 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.419 ' H ' ' CD1' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -99.55 65.75 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.1 ptp180 -86.6 42.3 1.0 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.103 . . . . 0.0 110.26 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -155.39 -61.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.239 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -139.15 127.46 22.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.239 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.9 mp -61.44 -55.16 26.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.37 -46.86 46.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 110.337 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 m -86.36 63.75 8.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.007 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -51.42 132.23 29.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -174.69 116.37 0.32 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 72.19 4.75 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.56 1.821 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.48 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 63.8 t0 -120.03 -59.8 1.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 101' ' ' ASP . . . 82.23 42.79 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.102 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 21.7 t -152.1 164.64 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.59 1.181 . . . . 0.0 109.225 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -176.08 -58.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.425 1.078 . . . . 0.0 109.351 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 106' ' ' VAL . 13.4 t30 60.08 154.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 109.321 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.546 ' CG1' ' N ' ' A' ' 107' ' ' GLN . 2.1 p -147.69 -149.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.546 ' N ' ' CG1' ' A' ' 106' ' ' VAL . 38.8 tt0 -167.25 115.59 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -174.59 47.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.42 1.075 . . . . 0.0 109.344 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.56 46.86 2.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 13.8 tp -121.67 138.53 54.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 109.402 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -139.9 113.64 8.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.286 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -155.88 127.28 7.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -167.98 -59.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.46 162.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 110.012 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.2 tptp . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.156 . . . . 0.0 109.256 179.982 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.1 mtm . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.535 0.207 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -164.46 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.456 1.766 . . . . 0.0 110.982 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.528 ' HB ' ' CE2' ' A' ' 55' ' ' TYR . 0.6 OUTLIER -113.56 164.87 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.336 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.423 HG23 ' N ' ' A' ' 5' ' ' GLN . 0.4 OUTLIER -174.24 171.16 3.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.083 . . . . 0.0 110.421 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.467 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 4.8 tp60 -48.66 -70.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.363 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.519 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -49.06 -20.58 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.414 ' N ' ' C ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -74.62 -43.43 55.47 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 110.251 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.51 ' CD1' ' CG1' ' A' ' 74' ' ' VAL . 4.1 mt -93.47 -3.33 10.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.486 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 2.9 mt -106.13 -40.53 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 6' ' ' GLU . . . -94.03 -36.94 11.89 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.96 -39.98 84.67 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.561 1.163 . . . . 0.0 110.956 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.466 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.1 mt -79.15 -53.07 14.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.481 0.753 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 9' ' ' ILE . . . -40.39 -48.64 2.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -60.58 -42.78 97.41 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.473 1.108 . . . . 0.0 110.267 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.466 ' N ' ' O ' ' A' ' 12' ' ' ILE . 66.4 mt -65.3 -46.57 90.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.458 ' O ' ' OG1' ' A' ' 20' ' ' THR . 31.6 mt -53.6 -29.97 17.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 22' ' ' ILE . 0.5 OUTLIER -80.04 5.49 14.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -111.59 -45.24 3.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.505 ' CG1' ' OG ' ' A' ' 43' ' ' SER . 4.3 t -78.15 -59.7 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.254 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' A' ' 16' ' ' ILE . 29.3 p -85.08 -30.76 23.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 110.403 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.92 30.38 35.41 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.551 1.157 . . . . 0.0 111.055 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.498 ' O ' ' CG ' ' A' ' 17' ' ' GLU . 30.8 mt -90.03 165.83 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.766 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.477 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 0.5 OUTLIER -66.1 148.44 98.4 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.395 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -51.74 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.449 1.762 . . . . 0.0 110.9 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.58 -24.86 66.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.044 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -62.94 -43.87 97.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.345 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.413 ' N ' ' CD1' ' A' ' 27' ' ' ILE . 0.8 OUTLIER -60.15 131.44 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.41 ' C ' ' H ' ' A' ' 30' ' ' GLU . 1.0 OUTLIER -147.58 164.99 20.01 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.392 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 43.67 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.54 1.81 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.41 ' H ' ' C ' ' A' ' 28' ' ' THR . 3.1 mm-40 -133.98 -24.78 1.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.333 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -44.23 166.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.545 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -123.06 13.01 9.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.112 . . . . 0.0 109.982 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.545 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.1 t80 79.42 -30.39 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 111.043 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.478 ' CG2' ' HA ' ' A' ' 40' ' ' ASP . 1.1 t -139.79 -58.2 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 34' ' ' VAL . 8.5 t70 -37.94 -33.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -103.12 -67.69 0.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.337 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.494 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 60.5 mt -41.96 -53.5 3.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.5 OUTLIER 66.21 14.92 9.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.579 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -96.64 -17.43 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.579 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 9.7 t0 89.29 -171.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.499 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 17.0 p -87.35 -5.01 59.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 110.002 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -64.91 0.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.505 ' OG ' ' CG1' ' A' ' 19' ' ' VAL . 7.3 t -68.01 -49.88 58.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.164 . . . . 0.0 110.067 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.494 ' SD ' ' CD1' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -48.55 -30.32 5.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 41' ' ' SER . 1.4 t -64.42 -35.45 74.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.423 ' CB ' HG12 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -70.73 -56.01 7.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.285 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.478 HG13 ' CG2' ' A' ' 19' ' ' VAL . 1.3 mt -41.82 -43.88 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.463 ' CB ' ' OE1' ' A' ' 52' ' ' GLU . . . -69.66 -47.86 61.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -48.23 -24.57 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' A' ' 54' ' ' LYS . 42.1 mt-30 -90.58 -60.64 1.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.3 m -51.78 -37.41 51.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.077 . . . . 0.0 110.436 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.463 ' OE1' ' CB ' ' A' ' 48' ' ' ALA . 9.5 mt-10 -76.16 -2.22 30.03 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.407 1.067 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.57 -60.52 1.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 50' ' ' GLN . 4.0 mtpt -40.97 -41.44 1.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.57 ' CD1' HG11 ' A' ' 57' ' ' VAL . 31.7 t80 -107.73 -49.45 3.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.949 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 109.94 21.21 7.18 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.57 HG11 ' CD1' ' A' ' 55' ' ' TYR . 19.5 m -57.14 149.21 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.295 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.53 103.45 15.39 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.439 HG22 ' CD1' ' A' ' 67' ' ' LEU . 28.6 mt -148.1 73.64 11.07 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 0.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 169.32 22.87 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.478 1.778 . . . . 0.0 110.942 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.41 -40.76 75.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.359 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -50.14 -21.8 1.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.559 ' OD1' ' CD2' ' A' ' 76' ' ' TYR . 0.3 OUTLIER -113.82 -34.85 5.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.333 179.896 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.07 -18.89 10.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.29 -38.62 68.73 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.556 1.16 . . . . 0.0 109.335 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -75.09 -50.72 8.23 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.543 HD23 ' CD2' ' A' ' 76' ' ' TYR . 41.5 mt -39.44 119.73 0.98 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 0.776 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.92 -38.99 4.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.384 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 70.8 p -133.45 160.73 36.55 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.504 1.128 . . . . 0.0 110.341 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 74' ' ' VAL . 21.7 t -45.74 -52.78 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -46.45 -33.98 6.26 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.431 1.082 . . . . 0.0 111.058 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -84.01 -35.01 24.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 0.76 . . . . 0.0 109.356 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.493 ' HA ' ' CD1' ' A' ' 67' ' ' LEU . 24.0 t -72.74 -16.08 17.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.51 ' CG1' ' CD1' ' A' ' 8' ' ' ILE . 69.8 t -94.32 -57.74 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.376 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 79' ' ' LYS . . . -46.01 -55.32 7.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.559 ' CD2' ' OD1' ' A' ' 63' ' ' ASP . 1.5 m-85 -43.85 -23.61 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 0.0 111.023 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.423 ' N ' ' C ' ' A' ' 75' ' ' ALA . 8.6 mt -83.61 -70.65 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.358 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.471 ' O ' ' N ' ' A' ' 81' ' ' GLU . 66.2 mt-30 -59.67 -52.84 63.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 75' ' ' ALA . 1.2 mmtm -41.77 -48.12 4.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.583 1.177 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.06 -43.81 78.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 78' ' ' GLN . 2.5 mm-40 -61.8 -77.36 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.439 1.087 . . . . 0.0 110.238 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.431 ' CB ' ' O ' ' A' ' 81' ' ' GLU . 0.6 OUTLIER 166.13 90.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -141.43 -78.67 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.256 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.415 ' O ' ' CD ' ' A' ' 79' ' ' LYS . 2.8 t30 -124.48 88.77 52.94 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 53.34 3.3 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.5 1.789 . . . . 0.0 111.008 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.471 ' HG3' ' CD1' ' A' ' 95' ' ' ILE . 4.7 tp10 -133.35 -72.52 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.406 ' HB1' ' CD1' ' A' ' 95' ' ' ILE . . . -127.95 -93.63 0.45 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.471 1.107 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.448 ' CB ' ' HB2' ' A' ' 75' ' ' ALA . . . -160.5 178.94 9.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.46 ' NE2' ' NE2' ' A' ' 5' ' ' GLN . 1.5 pt20 -89.13 51.81 2.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.32 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 91' ' ' LEU . . . -166.58 -42.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.459 ' CD1' ' HA ' ' A' ' 98' ' ' GLU . 0.2 OUTLIER -39.38 138.07 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.889 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.491 ' O ' ' CB ' ' A' ' 93' ' ' ALA . 6.0 ptp180 -161.58 59.4 0.27 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 92' ' ' ARG . . . 163.89 73.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.9 mtmt 68.26 136.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.471 ' CD1' ' HG3' ' A' ' 86' ' ' GLU . 28.8 mm -57.33 -79.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 95' ' ' ILE . 0.4 OUTLIER -38.51 -48.27 1.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.374 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.2 m -75.39 69.27 2.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 110.022 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.459 ' HA ' ' CD1' ' A' ' 91' ' ' LEU . 31.4 mt-10 -68.55 132.71 47.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 177.43 101.06 0.12 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 56.2 4.16 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.532 1.806 . . . . 0.0 111.045 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -169.33 -49.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 71.53 33.89 1.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.25 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.461 ' CG1' ' N ' ' A' ' 104' ' ' ALA . 1.1 p -122.98 -158.2 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.093 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.461 ' N ' ' CG1' ' A' ' 103' ' ' VAL . . . -176.52 -58.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.25 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.6 t30 168.62 166.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.0 t -137.81 166.29 24.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 46.1 tt0 178.54 148.79 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.334 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 107' ' ' GLN . . . 84.62 52.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.26 23.74 1.31 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.429 1.081 . . . . 0.0 110.263 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.9 tt -85.95 143.04 28.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -138.46 -147.97 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 110.321 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -164.87 176.66 8.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 176.04 57.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.595 1.185 . . . . 0.0 110.331 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 51.9 p -88.0 83.23 7.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.061 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.519 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 120.546 0.212 . . . . 0.0 111.01 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.3 Cg_endo -74.9 -51.06 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.474 1.776 . . . . 0.0 111.04 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.532 ' HB ' ' CE2' ' A' ' 55' ' ' TYR . 8.0 p -114.77 96.72 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.5 t -93.81 -172.63 2.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.395 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.468 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 3.5 tp60 -63.58 -61.68 2.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.539 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -53.01 -17.46 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.36 -45.37 32.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.542 ' CD1' ' CG1' ' A' ' 74' ' ' VAL . 8.2 mt -91.94 -3.56 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.246 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.468 ' CD1' ' HG3' ' A' ' 5' ' ' GLN . 2.9 mt -105.89 -42.28 6.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.539 ' CB ' ' O ' ' A' ' 6' ' ' GLU . . . -92.45 -34.68 14.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.97 -40.34 62.76 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.442 1.089 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -76.9 -53.17 15.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.51 0.771 . . . . 0.0 109.275 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.453 ' HB2' ' CG2' ' A' ' 27' ' ' ILE . . . -41.44 -47.52 3.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -57.75 -48.11 80.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.331 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.1 mt -62.62 -41.31 91.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.509 ' O ' ' N ' ' A' ' 21' ' ' GLY . 5.2 mt -53.8 -31.1 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -77.55 2.24 17.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 110.235 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -107.19 -59.11 1.86 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 110.347 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.497 ' CG1' ' OG ' ' A' ' 43' ' ' SER . 19.4 t -79.26 -64.87 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.494 ' HB ' ' CD1' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -63.63 -37.8 88.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.388 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 16' ' ' ILE . . . 81.96 21.07 61.89 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.526 1.141 . . . . 0.0 111.038 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.494 ' CD1' ' HB ' ' A' ' 20' ' ' THR . 12.1 mt -89.64 166.43 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.598 0.823 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.455 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 1.0 OUTLIER -71.0 151.84 94.98 Favored Pre-proline 0 C--N 1.326 -0.415 0 O-C-N 124.483 1.114 . . . . 0.0 110.319 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -49.35 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.471 1.774 . . . . 0.0 110.959 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.44 -26.19 65.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 110.036 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -44.46 96.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.098 . . . . 0.0 110.334 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.523 ' O ' ' CG2' ' A' ' 28' ' ' THR . 0.6 OUTLIER -56.72 156.03 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.523 ' CG2' ' O ' ' A' ' 27' ' ' ILE . 0.6 OUTLIER -166.76 167.09 8.27 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.363 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 2.0 7.12 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.521 1.801 . . . . 0.0 110.961 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.03 -5.15 55.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.402 ' O ' HG23 ' A' ' 69' ' ' THR . 5.1 mttt -68.09 162.94 23.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.538 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -118.96 14.25 13.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.163 . . . . 0.0 109.977 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.603 ' CE2' ' SD ' ' A' ' 44' ' ' MET . 1.0 OUTLIER 79.78 -33.77 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.998 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.466 ' CG2' ' HA ' ' A' ' 40' ' ' ASP . 1.1 t -136.22 -57.7 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.429 ' C ' ' O ' ' A' ' 34' ' ' VAL . 13.8 t0 -37.12 -35.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -101.55 -67.61 0.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.367 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 36' ' ' ASP . 50.0 mt -38.96 -51.26 1.79 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 109.393 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER 65.37 12.67 8.28 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.525 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -90.87 -19.26 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.525 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 1.1 t70 83.99 -163.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.495 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 46.7 p -91.2 5.76 47.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.977 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.01 -72.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 109.392 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.497 ' OG ' ' CG1' ' A' ' 19' ' ' VAL . 12.6 t -63.64 -44.62 93.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.981 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.603 ' SD ' ' CE2' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -47.82 -38.95 17.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.924 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 41' ' ' SER . 2.7 t -60.9 -30.74 48.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.575 1.172 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.478 ' HB3' ' CG2' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -76.84 -51.37 11.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.365 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.9 mt -55.52 -24.27 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -87.58 -44.73 11.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -49.18 -26.32 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 54' ' ' LYS . 57.2 mt-30 -89.68 -60.35 1.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -52.19 -36.86 53.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.364 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.457 ' CG ' HG21 ' A' ' 57' ' ' VAL . 11.9 mt-10 -76.66 -1.57 28.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.401 1.063 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.42 -59.75 1.9 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 50' ' ' GLN . 11.6 mtpp -41.35 -40.66 1.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.532 ' CE2' ' HB ' ' A' ' 3' ' ' VAL . 33.5 t80 -110.38 -53.72 2.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.093 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 112.3 38.78 1.31 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.524 ' CG1' ' CD1' ' A' ' 55' ' ' TYR . 17.6 m -76.01 149.21 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 0.767 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.61 112.04 24.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.456 ' O ' ' CG2' ' A' ' 59' ' ' ILE . 59.8 mt -145.03 67.61 13.51 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 109.203 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 171.47 18.27 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.436 1.756 . . . . 0.0 110.969 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.28 -40.86 62.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -50.08 -21.98 1.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.503 ' CG ' ' CD2' ' A' ' 76' ' ' TYR . 0.6 OUTLIER -114.62 -36.46 4.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.434 HD22 ' CG2' ' A' ' 59' ' ' ILE . 0.5 OUTLIER -59.35 -16.55 23.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.367 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.79 -39.97 42.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.93 -43.4 9.94 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.55 1.156 . . . . 0.0 110.963 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.606 ' CD2' ' CD2' ' A' ' 76' ' ' TYR . 24.5 mt -44.54 118.29 1.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 0.744 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.33 -39.02 4.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.332 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 31' ' ' LYS . 20.4 p -135.9 177.36 7.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.593 1.183 . . . . 0.0 110.415 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.524 ' O ' ' N ' ' A' ' 74' ' ' VAL . 4.1 t -57.15 -55.97 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.236 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -44.17 -29.13 1.52 Allowed Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.584 1.178 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -88.82 -40.35 13.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 0.738 . . . . 0.0 109.303 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.485 ' HA ' ' CD1' ' A' ' 67' ' ' LEU . 21.9 t -72.59 -14.53 17.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.399 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.542 ' CG1' ' CD1' ' A' ' 8' ' ' ILE . 77.3 t -96.48 -57.11 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.606 ' CB ' ' CB ' ' A' ' 88' ' ' ALA . . . -48.43 -55.1 11.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.357 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.606 ' CD2' ' CD2' ' A' ' 67' ' ' LEU . 1.7 m-85 -42.82 -24.95 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.428 ' N ' ' C ' ' A' ' 75' ' ' ALA . 6.6 mt -81.38 -55.67 7.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.601 1.188 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 81' ' ' GLU . 64.4 mt-30 -66.68 -50.63 62.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 110.352 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.93 -53.09 3.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.416 1.073 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.07 -40.66 85.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 78' ' ' GLN . 1.3 mt-10 -62.45 -53.17 58.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.379 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.512 ' O ' ' CG ' ' A' ' 83' ' ' GLU . 1.4 pt-20 -113.21 -101.89 0.41 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.507 1.129 . . . . 0.0 110.21 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 82' ' ' GLU . 34.4 mt-10 -159.9 -73.77 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 110.34 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.442 ' CB ' ' O ' ' A' ' 83' ' ' GLU . 8.1 t30 77.44 74.6 0.17 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 55.29 3.95 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.569 ' O ' ' CB ' ' A' ' 87' ' ' ALA . 5.3 tp10 -137.57 -72.93 0.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.154 . . . . 0.0 110.246 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.569 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . 158.07 65.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.606 ' CB ' ' CB ' ' A' ' 75' ' ' ALA . . . 61.79 125.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.487 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 12.3 pt20 -40.94 143.57 0.36 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 89' ' ' GLN . . . 82.45 46.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -133.81 136.45 44.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -176.74 57.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.35 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -164.27 -70.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.87 132.85 24.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.366 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.7 mp -58.96 -37.13 65.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -80.7 -62.6 1.62 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 0.0 110.296 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.8 m -77.25 71.2 3.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.019 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -45.73 144.77 1.57 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -153.26 112.51 2.64 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.425 ' O ' ' O ' ' A' ' 101' ' ' ASP . 18.4 Cg_endo -74.98 61.65 5.69 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.53 1.805 . . . . 0.0 111.009 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.425 ' O ' ' O ' ' A' ' 100' ' ' PRO . 3.1 t70 60.51 142.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.422 ' O ' HG13 ' A' ' 103' ' ' VAL . . . -179.35 40.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.538 ' CG1' ' N ' ' A' ' 104' ' ' ALA . 0.4 OUTLIER 39.24 -158.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.538 ' N ' ' CG1' ' A' ' 103' ' ' VAL . . . -162.52 -63.38 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.5 p30 173.52 125.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.255 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.4 t -108.52 168.33 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -153.68 97.14 2.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.269 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -170.97 45.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.52 48.83 1.79 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.402 1.064 . . . . 0.0 110.36 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 43.0 tp -112.83 139.31 48.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -140.58 108.01 5.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.43 1.082 . . . . 0.0 110.365 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -158.53 132.93 8.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -168.93 -41.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.152 . . . . 0.0 110.282 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.78 -179.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.967 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 14.8 tttp . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.34 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.489 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.541 0.21 . . . . 0.0 111.003 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.4 Cg_endo -74.97 -1.87 11.78 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.462 1.769 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.47 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 7.1 p -136.98 61.12 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.1 t -79.95 -177.08 5.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.387 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.457 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 4.2 tp60 -53.77 -67.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.521 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -51.1 -19.71 1.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.419 1.075 . . . . 0.0 110.315 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -42.82 55.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.522 ' CD1' ' CG1' ' A' ' 74' ' ' VAL . 4.8 mt -94.08 -3.92 10.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.483 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 2.9 mt -106.21 -42.18 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.521 ' CB ' ' O ' ' A' ' 6' ' ' GLU . . . -93.0 -36.42 12.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.79 -43.03 76.95 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.54 1.15 . . . . 0.0 111.029 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -75.71 -53.25 16.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.485 0.756 . . . . 0.0 109.221 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 9' ' ' ILE . . . -41.7 -46.44 3.76 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -58.16 -46.56 85.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.409 ' CG2' ' HA ' ' A' ' 47' ' ' ILE . 34.0 mt -64.75 -45.07 96.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.5 mt -53.19 -32.35 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 109.247 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.515 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 2.2 tm-20 -78.18 4.99 11.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.573 1.171 . . . . 0.0 110.359 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 15' ' ' ILE . 0.9 OUTLIER -112.25 -43.92 3.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.308 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.525 ' CG1' ' OG ' ' A' ' 43' ' ' SER . 3.0 t -82.03 -56.76 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.434 HG21 ' CB ' ' A' ' 43' ' ' SER . 18.0 p -88.34 -23.45 23.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.425 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.4 20.29 77.16 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.515 ' O ' ' CB ' ' A' ' 17' ' ' GLU . 64.5 mt -75.86 166.52 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.413 0.714 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.459 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 0.2 OUTLIER -70.82 150.31 95.18 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.333 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -49.23 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.5 -20.64 63.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.015 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -65.67 -51.58 58.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.262 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.454 ' CG2' ' HB3' ' A' ' 13' ' ' ALA . 0.8 OUTLIER -53.95 128.5 13.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 109.37 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.43 ' C ' ' H ' ' A' ' 30' ' ' GLU . 1.0 OUTLIER -140.67 165.32 30.61 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 0.0 110.465 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.454 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 18.2 Cg_endo -75.03 42.24 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.479 1.778 . . . . 0.0 110.964 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.43 ' H ' ' C ' ' A' ' 28' ' ' THR . 1.9 mm-40 -136.66 5.31 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.06 167.15 12.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.242 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.587 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -128.49 14.37 6.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.983 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.587 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.3 t80 81.18 -38.38 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 111.076 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.482 ' CG2' ' HA ' ' A' ' 40' ' ' ASP . 1.1 t -137.65 -55.37 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.469 ' CB ' ' HB3' ' A' ' 32' ' ' SER . 8.7 t70 -38.23 -31.4 0.05 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -106.95 -68.05 0.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.515 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 58.5 mt -41.8 -55.83 2.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.81 12.18 8.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.35 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.583 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -94.06 -17.88 7.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.533 1.145 . . . . 0.0 109.268 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.583 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 11.4 t0 89.53 -172.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.504 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 90.0 p -89.48 -3.07 58.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.978 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.73 -63.51 1.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.525 ' OG ' ' CG1' ' A' ' 19' ' ' VAL . 8.2 t -65.85 -55.34 17.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 109.952 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.565 ' HE1' ' CE2' ' A' ' 33' ' ' PHE . 11.4 mmm -43.97 -38.03 3.26 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.475 1.109 . . . . 0.0 110.993 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 41' ' ' SER . 1.4 t -54.63 -37.85 40.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 43' ' ' SER . 0.0 OUTLIER -72.15 -52.96 14.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.078 . . . . 0.0 110.313 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.504 HG13 ' CG2' ' A' ' 19' ' ' VAL . 1.6 mt -40.35 -43.55 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.41 ' C ' ' N ' ' A' ' 50' ' ' GLN . . . -74.92 -51.13 14.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -45.93 -26.34 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' A' ' 54' ' ' LYS . 45.2 mt-30 -88.05 -60.82 1.86 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.421 ' CG2' HG21 ' A' ' 57' ' ' VAL . 1.0 OUTLIER -51.96 -38.72 57.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 0.0 110.43 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.81 -1.7 20.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.72 -64.96 1.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.165 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 50' ' ' GLN . 13.8 mttt -45.48 -40.75 8.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.241 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.63 -43.47 5.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 111.025 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.7 36.28 5.11 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.426 1.079 . . . . 0.0 111.015 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.437 ' CG1' ' CG2' ' A' ' 77' ' ' ILE . 2.1 t -65.05 -176.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.583 0.814 . . . . 0.0 109.356 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.453 ' NZ ' ' O ' ' A' ' 58' ' ' LYS . 0.6 OUTLIER -130.29 100.01 5.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.431 HG23 ' CD1' ' A' ' 67' ' ' LEU . 24.1 mt -153.49 76.89 6.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 170.47 20.34 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.504 1.792 . . . . 0.0 110.981 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.01 -40.51 89.52 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 0.0 109.211 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -50.76 -21.41 1.63 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.149 . . . . 0.0 110.316 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.599 ' CG ' ' CE2' ' A' ' 76' ' ' TYR . 0.7 OUTLIER -113.06 -34.15 5.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -56.57 -18.26 11.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.36 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.92 -41.39 59.76 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.16 -45.92 37.75 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 110.948 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.649 ' CD2' ' CD2' ' A' ' 76' ' ' TYR . 21.1 mt -40.82 124.52 2.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 0.765 . . . . 0.0 109.291 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.14 -40.88 3.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.41 1.069 . . . . 0.0 110.291 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 37.9 p -136.9 168.36 19.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.389 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.452 ' O ' ' CG2' ' A' ' 74' ' ' VAL . 12.9 t -48.89 -45.86 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.16 . . . . 0.0 109.352 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -53.57 -36.74 54.84 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.443 1.089 . . . . 0.0 110.959 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -82.61 -33.6 27.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.39 0.7 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.478 ' CG1' HD11 ' A' ' 67' ' ' LEU . 21.8 t -75.57 -14.31 15.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.522 ' CG1' ' CD1' ' A' ' 8' ' ' ILE . 94.5 t -95.2 -56.46 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.15 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 79' ' ' LYS . . . -45.29 -56.79 4.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.113 . . . . 0.0 109.348 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.649 ' CD2' ' CD2' ' A' ' 67' ' ' LEU . 1.4 m-30 -43.11 -25.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 111.045 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.437 ' CG2' ' CG1' ' A' ' 57' ' ' VAL . 5.4 mt -79.91 -77.12 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 79' ' ' LYS . 40.4 mt-30 -54.87 -50.96 67.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 75' ' ' ALA . 0.3 OUTLIER -39.21 -52.89 1.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.14 -45.52 60.2 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.98 -60.28 3.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 110.33 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -112.23 -98.37 0.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -155.2 -73.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.327 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.9 t30 66.73 65.93 0.72 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 54.2 3.57 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.56 1.821 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -140.54 -62.57 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 110.326 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.418 ' CB ' ' HG ' ' A' ' 91' ' ' LEU . . . -173.29 -96.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.23 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.502 ' O ' ' C ' ' A' ' 89' ' ' GLN . . . -168.48 57.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.234 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.502 ' C ' ' O ' ' A' ' 88' ' ' ALA . 1.2 pt20 29.81 70.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 89' ' ' GLN . . . 163.75 44.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.464 ' CD2' ' N ' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -134.3 174.79 10.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 109.335 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.481 ' O ' ' CB ' ' A' ' 93' ' ' ALA . 2.2 ptp180 -163.34 79.85 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 92' ' ' ARG . . . 83.52 45.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.23 177.48 8.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.355 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 16.2 mm -123.36 -56.54 2.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.26 -78.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.334 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 172.46 118.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.077 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 99' ' ' ASN . 0.2 OUTLIER 63.5 135.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.413 ' N ' ' HG3' ' A' ' 98' ' ' GLU . 62.3 t30 -124.07 126.98 25.5 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.249 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 70.55 5.24 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.488 1.783 . . . . 0.0 111.051 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -96.91 -49.65 4.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -178.75 56.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 11.2 t -92.68 5.51 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -137.65 -62.58 0.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 39.2 t30 61.0 157.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.223 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 1.3 t -118.59 -160.29 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -104.15 -152.51 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -109.46 18.17 20.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.345 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? 39.36 60.12 1.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 23.5 tp -106.65 152.97 23.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -135.4 -148.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.266 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -176.68 142.87 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 109.346 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -151.66 41.83 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.398 1.061 . . . . 0.0 110.274 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.0 m -111.17 156.85 20.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.032 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.0 ttpp . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.516 0.198 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 178.35 7.39 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.421 1.748 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.513 ' HB ' ' CZ ' ' A' ' 55' ' ' TYR . 1.2 p -97.57 166.18 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.448 ' CG2' ' N ' ' A' ' 5' ' ' GLN . 0.3 OUTLIER -178.99 172.43 1.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.61 1.194 . . . . 0.0 110.368 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.468 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 5.1 tp60 -49.23 -70.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.308 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -49.48 -20.43 0.72 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 0.0 110.33 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 5' ' ' GLN . 0.1 OUTLIER -74.65 -42.28 58.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.328 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.539 ' CD1' ' CG1' ' A' ' 74' ' ' VAL . 4.4 mt -95.0 -3.23 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.486 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 2.9 mt -106.69 -41.08 5.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 6' ' ' GLU . . . -95.18 -35.86 11.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.589 1.181 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.7 -39.41 77.41 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.488 1.117 . . . . 0.0 111.038 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.405 ' HB ' ' O ' ' A' ' 8' ' ' ILE . 0.7 OUTLIER -79.94 -53.3 13.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.435 0.727 . . . . 0.0 109.279 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 9' ' ' ILE . . . -42.85 -50.0 5.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.51 -45.06 85.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 91.3 mt -63.98 -45.22 97.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.458 ' O ' ' OG1' ' A' ' 20' ' ' THR . 6.7 mt -53.72 -33.78 23.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.52 0.71 13.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.348 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -106.42 -44.15 4.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.155 . . . . 0.0 110.267 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.511 ' CG1' ' OG ' ' A' ' 43' ' ' SER . 3.1 t -83.27 -67.41 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' A' ' 16' ' ' ILE . 67.7 p -75.51 -20.84 58.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.429 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 70.79 22.33 78.17 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.457 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 61.7 mt -80.53 166.48 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.758 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.457 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 0.2 OUTLIER -69.38 151.17 96.94 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.282 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -49.61 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.556 1.819 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.54 -25.81 66.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 109.986 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -62.14 -45.15 94.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.32 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.452 ' CG1' HD12 ' A' ' 16' ' ' ILE . 0.7 OUTLIER -61.72 142.81 15.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.35 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.426 ' C ' ' H ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -159.85 170.17 9.14 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.369 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 42.62 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.477 1.777 . . . . 0.0 110.963 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.426 ' H ' ' C ' ' A' ' 28' ' ' THR . 2.9 mm-40 -129.36 -25.34 2.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.281 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -43.34 159.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.569 1.168 . . . . 0.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.568 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -121.69 14.46 10.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.94 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.597 ' CE1' ' SD ' ' A' ' 44' ' ' MET . 1.0 OUTLIER 80.01 -30.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.493 ' CG2' ' HA ' ' A' ' 40' ' ' ASP . 1.1 t -143.18 -57.17 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.574 1.171 . . . . 0.0 109.256 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 34' ' ' VAL . 3.3 t70 -37.78 -32.4 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 109.227 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -106.4 -67.73 0.92 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.3 mt -43.51 -51.16 6.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 34' ' ' VAL . 1.2 t0 61.67 16.47 7.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.54 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -98.33 -15.28 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.54 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 15.0 t0 85.76 -170.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.498 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 54.8 p -88.68 1.78 54.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.046 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.08 -65.49 0.69 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.511 ' OG ' ' CG1' ' A' ' 19' ' ' VAL . 11.6 t -68.1 -48.73 64.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.96 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.597 ' SD ' ' CE1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -49.44 -28.75 5.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 111.008 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' ' 41' ' ' SER . 1.3 t -66.76 -35.01 73.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -55.9 8.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.138 . . . . 0.0 110.343 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.489 HG13 ' CG2' ' A' ' 19' ' ' VAL . 1.5 mt -43.4 -45.45 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.03 -50.18 62.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -48.19 -25.39 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 54' ' ' LYS . 49.8 mt-30 -89.55 -60.21 2.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.416 1.072 . . . . 0.0 110.271 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 3.0 m -51.66 -38.22 53.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.458 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.469 ' CG ' HG22 ' A' ' 57' ' ' VAL . 15.2 mt-10 -75.34 -1.87 25.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 0.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.17 -61.03 1.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' GLN . 2.7 mtpt -41.72 -42.27 2.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.412 1.07 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.513 ' CZ ' ' HB ' ' A' ' 3' ' ' VAL . 35.4 t80 -108.66 -53.78 2.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 114.75 27.98 3.09 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.432 1.083 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.469 HG22 ' CG ' ' A' ' 52' ' ' GLU . 19.5 m -61.23 148.69 9.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.439 0.729 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.8 105.26 16.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.46 ' CG2' HD13 ' A' ' 67' ' ' LEU . 10.1 mt -148.12 75.68 10.6 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 169.7 22.04 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.49 1.784 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.85 -40.54 80.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.34 -25.33 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.376 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.712 ' CB ' ' CE2' ' A' ' 76' ' ' TYR . 0.1 OUTLIER -112.95 -39.67 4.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -50.58 -22.9 2.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.04 -42.14 69.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 109.362 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -74.69 -46.76 17.2 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.487 1.117 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.48 ' HB3' ' CG2' ' A' ' 73' ' ' VAL . 8.6 mt -39.41 125.34 1.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 109.328 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.82 -41.52 3.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 110.352 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 70.6 p -131.69 165.57 23.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.38 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.501 ' O ' ' CG2' ' A' ' 74' ' ' VAL . 11.6 t -51.6 -44.83 35.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -51.84 -33.81 36.21 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.553 1.158 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -84.8 -33.05 23.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 0.743 . . . . 0.0 109.324 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.48 ' CG2' ' HB3' ' A' ' 67' ' ' LEU . 13.8 t -78.0 -11.66 13.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.559 1.162 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.539 ' CG1' ' CD1' ' A' ' 8' ' ' ILE . 64.0 t -96.75 -56.62 5.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.446 ' CB ' ' HB2' ' A' ' 88' ' ' ALA . . . -44.81 -57.22 3.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.712 ' CE2' ' CB ' ' A' ' 63' ' ' ASP . 2.2 t80 -43.3 -27.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 111.059 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.7 mt -81.55 -76.52 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 79' ' ' LYS . 46.3 mt-30 -49.88 -53.06 28.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.549 1.155 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 75' ' ' ALA . 12.6 mmmm -39.96 -52.99 2.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.04 -42.82 72.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.53 -63.64 1.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -114.1 -98.62 0.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -152.75 -72.61 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 110.317 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 26.8 t30 63.65 74.27 0.44 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 54.52 3.69 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.547 1.814 . . . . 0.0 110.991 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -139.34 -69.15 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.252 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -176.96 -77.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.446 ' HB2' ' CB ' ' A' ' 75' ' ' ALA . . . 177.07 51.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.09 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.429 ' O ' ' CB ' ' A' ' 90' ' ' ALA . 0.0 OUTLIER 38.3 90.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.16 . . . . 0.0 110.341 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' A' ' 89' ' ' GLN . . . 167.92 -51.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.475 ' N ' ' CD1' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -44.24 156.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.229 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.424 ' HB3' ' NH1' ' A' ' 92' ' ' ARG . 5.3 ptp180 -167.83 46.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.578 1.174 . . . . 0.0 110.338 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.458 ' HB2' ' CB ' ' A' ' 102' ' ' ALA . . . -173.76 -50.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.133 . . . . 0.0 109.339 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -148.34 154.41 39.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 3.2 mp -72.25 -78.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.255 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 98' ' ' GLU . 0.8 OUTLIER -44.56 -57.71 3.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 110.245 -179.92 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.8 m -66.39 72.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.985 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 96' ' ' GLU . 1.1 mt-10 -66.27 132.91 49.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.306 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 166.82 115.01 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 56.1 4.17 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.518 1.799 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -170.26 127.0 0.81 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.458 ' CB ' ' HB2' ' A' ' 93' ' ' ALA . . . -176.71 56.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.429 ' CG1' ' N ' ' A' ' 104' ' ' ALA . 1.4 p -139.26 -159.88 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.429 ' N ' ' CG1' ' A' ' 103' ' ' VAL . . . 178.51 -56.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 174.87 174.69 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 0.0 109.334 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 95.6 t -81.85 -4.62 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.088 . . . . 0.0 109.361 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 56.03 108.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 110.233 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 179.33 56.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.99 50.14 1.26 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 13.7 tp -144.88 149.55 35.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.339 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -131.8 -148.15 0.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.254 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 177.33 66.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.14 . . . . 0.0 109.33 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -166.72 48.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.1 t -40.86 -67.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.017 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.5 mtt . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.482 0.182 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -162.54 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.553 1.818 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.476 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 2.4 p -142.18 45.85 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.1 t -78.45 -175.23 4.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 110.404 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.473 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 4.6 tp60 -54.66 -66.92 0.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 110.306 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.515 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -51.38 -19.96 1.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.25 -42.63 59.36 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.501 1.126 . . . . 0.0 110.355 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.535 ' CD1' ' CG1' ' A' ' 74' ' ' VAL . 6.0 mt -94.66 -4.81 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.483 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 3.0 mt -104.61 -40.48 6.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 6' ' ' GLU . . . -94.33 -33.86 13.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -71.31 -40.24 60.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.3 mt -79.43 -54.41 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 0.775 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 9' ' ' ILE . . . -40.68 -49.79 3.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.302 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -59.16 -41.98 89.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.355 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.485 ' CG2' ' HA ' ' A' ' 47' ' ' ILE . 40.1 mt -66.48 -46.33 86.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.409 HG21 ' OG1' ' A' ' 20' ' ' THR . 36.6 mt -53.42 -32.25 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.511 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 1.3 tm-20 -79.06 3.55 17.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -109.89 -45.82 3.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 110.348 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.519 ' CG1' ' OG ' ' A' ' 43' ' ' SER . 2.4 t -79.46 -66.24 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.418 HG21 ' OG ' ' A' ' 43' ' ' SER . 18.1 p -76.53 -29.96 56.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.407 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.2 22.92 56.23 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.511 ' O ' ' CB ' ' A' ' 17' ' ' GLU . 47.9 mt -82.3 166.74 2.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.533 0.784 . . . . 0.0 109.241 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.458 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -69.53 152.45 96.32 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -54.85 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.537 1.809 . . . . 0.0 110.984 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.93 -23.14 66.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 109.999 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -61.56 -42.85 99.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 110.281 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.465 ' O ' ' CG2' ' A' ' 28' ' ' THR . 0.7 OUTLIER -62.16 146.9 11.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.465 ' CG2' ' O ' ' A' ' 27' ' ' ILE . 0.7 OUTLIER -163.69 166.62 12.25 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.376 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 48.51 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.452 1.764 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -137.76 -27.87 0.91 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.407 ' O ' HG22 ' A' ' 69' ' ' THR . 3.2 mttt -42.95 157.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.558 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -116.71 15.0 15.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.969 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.558 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.2 t80 79.98 -30.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 111.019 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.472 ' CG2' ' HA ' ' A' ' 40' ' ' ASP . 1.1 t -142.49 -57.21 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 109.351 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 34' ' ' VAL . 16.2 t0 -37.18 -33.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -105.4 -67.44 0.92 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.358 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.419 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 73.3 mt -39.84 -52.03 2.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER 63.59 13.53 7.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.907 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.594 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -94.05 -20.09 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.594 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 8.9 t0 89.51 -171.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.471 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 35.6 t -87.23 1.57 52.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.017 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -69.45 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.357 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.519 ' OG ' ' CG1' ' A' ' 19' ' ' VAL . 0.4 OUTLIER -67.24 -43.11 82.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.033 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.419 ' SD ' ' CD1' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -52.65 -31.48 37.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.996 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 41' ' ' SER . 1.4 t -63.29 -36.18 75.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.353 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.44 ' CB ' HG11 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -71.69 -56.46 5.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 110.27 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.485 ' HA ' ' CG2' ' A' ' 15' ' ' ILE . 2.5 mt -39.36 -41.43 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.33 -45.3 26.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -48.82 -26.52 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.12 . . . . 0.0 109.373 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' A' ' 54' ' ' LYS . 51.2 mt-30 -87.49 -60.29 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.332 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -51.49 -39.07 56.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 110.38 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.45 ' HA ' ' CG2' ' A' ' 57' ' ' VAL . 20.3 mt-10 -74.12 -1.97 22.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.331 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.26 -62.12 1.62 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.441 1.088 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 50' ' ' GLN . 11.5 mtpp -40.96 -40.8 1.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.348 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.572 ' CD1' HG12 ' A' ' 57' ' ' VAL . 33.0 t80 -108.34 -46.77 3.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 110.921 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 109.48 10.18 23.98 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.518 1.137 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.572 HG12 ' CD1' ' A' ' 55' ' ' TYR . 33.2 m -47.59 154.85 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.385 0.697 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.48 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -110.06 121.6 45.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.48 ' CG1' ' O ' ' A' ' 58' ' ' LYS . 21.0 mt -155.58 73.43 5.38 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 170.6 20.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.509 1.794 . . . . 0.0 110.955 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.422 ' C ' ' N ' ' A' ' 63' ' ' ASP . 0.4 OUTLIER -55.18 -39.49 69.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -41.63 -27.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.287 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.705 ' CB ' ' CE2' ' A' ' 76' ' ' TYR . 0.1 OUTLIER -116.14 -43.47 2.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.2 -25.3 0.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 63' ' ' ASP . . . -69.68 -44.83 69.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . -74.66 -48.07 13.81 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.457 1.098 . . . . 0.0 111.032 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.491 ' CD1' ' HA ' ' A' ' 73' ' ' VAL . 19.5 mt -39.31 122.9 1.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 109.235 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.64 -38.82 3.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 31' ' ' LYS . 73.2 p -130.55 166.24 21.03 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.498 1.123 . . . . 0.0 110.371 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 74' ' ' VAL . 12.0 t -52.92 -47.56 52.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -52.71 -30.4 35.47 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.439 1.087 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -86.0 -27.98 24.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 0.735 . . . . 0.0 109.346 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.491 ' HA ' ' CD1' ' A' ' 67' ' ' LEU . 21.2 t -82.87 -19.14 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.227 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.535 ' CG1' ' CD1' ' A' ' 8' ' ' ILE . 91.0 t -90.87 -50.21 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.348 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.492 ' HB1' ' CB ' ' A' ' 88' ' ' ALA . . . -47.24 -56.8 6.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.705 ' CE2' ' CB ' ' A' ' 63' ' ' ASP . 4.6 t80 -45.06 -31.11 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.948 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 73' ' ' VAL . 12.3 mt -81.75 -73.11 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.291 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.485 ' NE2' ' CG1' ' A' ' 74' ' ' VAL . 44.4 mt-30 -49.7 -56.71 9.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 75' ' ' ALA . 16.8 mmmt -38.85 -48.09 1.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.81 -54.09 12.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.263 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -40.26 -60.41 1.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.416 ' O ' ' CG ' ' A' ' 83' ' ' GLU . 1.5 pt-20 -113.46 -99.41 0.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.416 ' CG ' ' O ' ' A' ' 82' ' ' GLU . 31.5 mt-10 -156.47 -73.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.256 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 15.2 t30 63.62 69.51 0.79 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.29 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 55.06 3.82 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.432 1.754 . . . . 0.0 110.966 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -138.97 -62.07 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.346 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -178.81 -92.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.492 ' CB ' ' HB1' ' A' ' 75' ' ' ALA . . . -176.91 56.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.411 ' CG ' ' C ' ' A' ' 88' ' ' ALA . 6.9 pt20 40.05 51.24 2.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -176.29 51.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.493 ' CD1' ' O ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -147.53 142.12 26.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.422 ' N ' HD22 ' A' ' 91' ' ' LEU . 7.1 ptm180 -159.44 56.27 0.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -171.37 -50.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 0.0 109.34 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt -150.55 141.02 22.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.1 mp -57.06 -49.97 77.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.403 1.064 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 98' ' ' GLU . 2.8 tt0 -83.01 -58.97 2.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.6 m -67.47 71.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.962 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 96' ' ' GLU . 49.7 mt-10 -60.31 142.39 54.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.133 . . . . 0.0 110.22 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 176.74 115.09 0.14 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 56.29 4.18 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.429 1.752 . . . . 0.0 110.995 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -169.53 126.09 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.42 ' O ' ' NH2' ' A' ' 92' ' ' ARG . . . -172.47 53.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.46 ' CG1' ' N ' ' A' ' 104' ' ' ALA . 1.3 p -58.86 -158.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.46 ' N ' ' CG1' ' A' ' 103' ' ' VAL . . . 173.07 -51.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.367 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 15.0 p-10 -59.54 87.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.408 ' N ' ' O ' ' A' ' 104' ' ' ALA . 11.8 t -120.91 172.09 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.415 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 0.1 OUTLIER -146.78 -154.96 0.58 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.566 1.166 . . . . 0.0 110.219 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 107' ' ' GLN . . . 78.43 37.11 0.19 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.409 ' O ' ' CG ' ' A' ' 109' ' ' ARG . 0.0 OUTLIER -127.68 58.64 1.48 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.484 1.115 . . . . 0.0 110.257 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.7 tp -147.26 149.96 33.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -136.88 -148.05 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 179.96 163.6 1.08 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.465 1.103 . . . . 0.0 109.372 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -174.75 -58.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 110.316 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 55.83 168.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.971 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 11.1 tptp . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 -179.926 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.511 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 2.6 mtt . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.557 0.218 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.536 ' O ' ' CE2' ' A' ' 55' ' ' TYR . 18.3 Cg_endo -75.11 -86.14 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.498 1.788 . . . . 0.0 110.953 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.408 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 4.8 p -173.71 47.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.9 t -75.41 -177.69 3.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.33 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.45 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 4.6 tp60 -53.17 -67.22 0.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.532 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -51.48 -19.76 1.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.9 -42.68 57.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.323 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.521 ' CD1' ' CG1' ' A' ' 74' ' ' VAL . 4.9 mt -94.45 -4.15 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.48 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 2.8 mt -105.66 -41.16 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.595 1.184 . . . . 0.0 109.245 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 6' ' ' GLU . . . -93.63 -35.29 12.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.02 -40.69 72.84 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.522 1.139 . . . . 0.0 111.056 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.0 OUTLIER -78.37 -53.31 14.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.484 0.755 . . . . 0.0 109.256 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.48 ' CB ' ' O ' ' A' ' 9' ' ' ILE . . . -41.83 -46.42 3.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.62 -43.71 97.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.43 ' N ' ' O ' ' A' ' 12' ' ' ILE . 28.7 mt -65.2 -44.15 95.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.369 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.45 ' O ' ' OG1' ' A' ' 20' ' ' THR . 10.2 mt -54.32 -32.82 24.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.506 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 1.1 tm-20 -75.82 2.06 13.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -109.74 -39.69 5.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.525 ' CG1' ' OG ' ' A' ' 43' ' ' SER . 3.2 t -86.52 -60.08 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 109.306 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' ' 16' ' ' ILE . 31.2 p -83.9 -22.18 31.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.424 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 74.5 21.5 78.68 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.475 1.109 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.506 ' O ' ' CB ' ' A' ' 17' ' ' GLU . 59.5 mt -80.42 167.0 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 0.752 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.46 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 0.1 OUTLIER -71.67 151.03 93.52 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -49.5 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.475 1.776 . . . . 0.0 110.969 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.7 -25.35 67.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -62.46 -44.13 97.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.152 . . . . 0.0 110.317 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.472 ' CG2' ' HB2' ' A' ' 13' ' ' ALA . 0.6 OUTLIER -64.39 135.51 27.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.41 ' C ' ' H ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -152.79 171.35 6.85 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 110.38 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 43.72 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.496 1.787 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.41 ' H ' ' C ' ' A' ' 28' ' ' THR . 1.6 mm-40 -139.36 9.06 2.47 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.518 1.137 . . . . 0.0 110.319 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -74.31 167.16 22.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.332 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.573 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -128.06 11.58 6.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 109.988 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.573 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.5 t80 80.3 -36.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.478 ' CG2' ' HA ' ' A' ' 40' ' ' ASP . 1.1 t -136.74 -56.5 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.367 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.462 ' CB ' ' HB3' ' A' ' 32' ' ' SER . 4.5 t70 -38.58 -31.16 0.05 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.091 . . . . 0.0 109.269 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -105.56 -67.91 0.9 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.242 -179.909 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.436 HD13 ' CG ' ' A' ' 44' ' ' MET . 57.8 mt -42.13 -55.17 3.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 68.07 12.75 8.92 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.572 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -93.21 -19.79 6.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.572 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 14.7 t0 89.06 -170.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.506 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 45.0 p -85.58 1.37 49.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.966 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.06 -68.45 0.38 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.525 ' OG ' ' CG1' ' A' ' 19' ' ' VAL . 23.0 t -67.13 -47.85 69.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.978 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.441 ' SD ' ' CE1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -47.71 -31.69 5.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 111.016 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.506 ' CG2' ' O ' ' A' ' 41' ' ' SER . 1.8 t -65.37 -34.73 72.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 43' ' ' SER . 0.3 OUTLIER -72.84 -55.67 6.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.249 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.494 HG13 ' CG2' ' A' ' 19' ' ' VAL . 3.9 mt -41.09 -41.81 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.568 1.167 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.4 ' CB ' ' OE1' ' A' ' 52' ' ' GLU . . . -75.01 -47.27 29.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -47.93 -25.89 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 54' ' ' LYS . 49.6 mt-30 -89.41 -60.72 1.87 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.117 . . . . 0.0 110.333 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -52.07 -37.39 53.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.385 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.468 ' CG ' HG22 ' A' ' 57' ' ' VAL . 13.7 mt-10 -75.41 -1.76 25.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.02 -63.19 1.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 109.319 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 50' ' ' GLN . 16.3 mtpt -45.29 -40.95 8.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 109.371 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.536 ' CE2' ' O ' ' A' ' 2' ' ' PRO . 0.9 OUTLIER -105.23 -40.65 5.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.892 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' VAL . . . 100.99 4.65 54.16 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.468 HG22 ' CG ' ' A' ' 52' ' ' GLU . 16.2 m -40.69 149.22 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 0.748 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.406 ' O ' ' CG ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -99.29 104.64 16.57 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.572 1.17 . . . . 0.0 109.249 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.453 HG21 ' CD1' ' A' ' 67' ' ' LEU . 20.0 mt -152.33 72.73 7.63 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 169.84 21.73 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.453 1.765 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.62 -40.87 76.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.257 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -50.71 -21.79 1.78 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.588 ' CG ' ' CE2' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -113.19 -33.77 5.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.421 HD13 ' CZ ' ' A' ' 33' ' ' PHE . 0.7 OUTLIER -58.34 -17.47 20.27 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.467 1.105 . . . . 0.0 109.305 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.11 -37.73 61.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -76.6 -46.61 11.37 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.511 1.132 . . . . 0.0 111.048 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.597 ' CD2' ' CD2' ' A' ' 76' ' ' TYR . 20.7 mt -40.1 123.59 1.7 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 0.757 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.78 -39.72 3.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.256 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 59.6 p -136.49 168.62 19.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.462 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.446 ' O ' ' CG2' ' A' ' 74' ' ' VAL . 13.9 t -49.4 -47.71 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -52.67 -36.2 48.03 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.488 1.117 . . . . 0.0 111.049 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.428 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 6.6 t0 -81.6 -32.15 32.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.468 ' CG1' HD11 ' A' ' 67' ' ' LEU . 23.7 t -77.63 -14.0 14.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.521 ' CG1' ' CD1' ' A' ' 8' ' ' ILE . 83.7 t -95.62 -53.03 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.491 ' CB ' ' CB ' ' A' ' 88' ' ' ALA . . . -48.71 -58.34 4.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.597 ' CD2' ' CD2' ' A' ' 67' ' ' LEU . 1.6 m-85 -40.97 -29.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 14.6 mt -76.08 -78.21 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 81' ' ' GLU . 39.6 mt-30 -53.49 -52.98 57.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.336 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 75' ' ' ALA . 0.4 OUTLIER -37.34 -39.76 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.0 -45.18 15.69 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.421 1.076 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.513 ' HG3' ' CG ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -52.08 -31.65 31.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.305 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.513 ' CG ' ' HG3' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -141.56 -100.91 0.14 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.433 1.083 . . . . 0.0 110.213 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 82' ' ' GLU . 36.6 mt-10 -158.63 -73.32 0.08 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.425 ' N ' ' OE1' ' A' ' 82' ' ' GLU . 7.2 t30 59.87 69.55 1.22 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 55.0 3.84 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.458 1.767 . . . . 0.0 110.972 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -136.3 -62.84 0.65 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -172.79 -96.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.499 ' O ' ' C ' ' A' ' 89' ' ' GLN . . . -178.58 65.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.499 ' C ' ' O ' ' A' ' 88' ' ' ALA . 1.6 pt20 30.31 55.69 0.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' A' ' 91' ' ' LEU . . . -155.58 -65.41 0.12 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.417 ' O ' ' O ' ' A' ' 90' ' ' ALA . 0.3 OUTLIER 45.85 -170.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.532 ' O ' ' CB ' ' A' ' 93' ' ' ALA . 10.4 mtp180 50.19 67.49 0.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.148 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 92' ' ' ARG . . . 161.4 -27.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 93' ' ' ALA . 0.0 OUTLIER 59.61 149.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.237 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.449 ' CG2' ' N ' ' A' ' 96' ' ' GLU . 0.2 OUTLIER -148.42 -50.36 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.449 ' N ' ' CG2' ' A' ' 95' ' ' ILE . 1.6 tt0 -120.07 -35.88 3.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.574 1.171 . . . . 0.0 110.266 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 175.91 38.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 109.943 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 99' ' ' ASN . 4.8 mm-40 -94.99 -155.11 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.419 ' C ' ' O ' ' A' ' 98' ' ' GLU . 26.9 t-20 38.71 81.45 0.25 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -12.47 21.46 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.782 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 2.9 t0 -170.67 -54.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 101' ' ' ASP . . . 83.24 35.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.455 ' CG1' ' N ' ' A' ' 104' ' ' ALA . 1.3 p -132.14 -158.96 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.361 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.455 ' N ' ' CG1' ' A' ' 103' ' ' VAL . . . 80.47 42.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.165 . . . . 0.0 109.243 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 30.2 p30 -50.02 177.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.401 ' CG1' ' CD ' ' A' ' 109' ' ' ARG . 11.2 t -53.88 168.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.419 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 13.9 tt0 173.39 143.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 107' ' ' GLN . . . 78.22 24.51 0.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.401 ' CD ' ' CG1' ' A' ' 106' ' ' VAL . 0.1 OUTLIER -119.87 25.18 10.12 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.426 1.079 . . . . 0.0 110.355 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.0 tp -116.54 167.0 11.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -137.6 77.14 1.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -139.17 90.69 2.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.582 1.176 . . . . 0.0 109.38 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.51 -50.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.3 m 65.28 175.75 0.21 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.603 1.189 . . . . 0.0 110.019 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.1 ttpp . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 109.252 -179.982 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.535 ' CB ' ' HD3' ' A' ' 2' ' ' PRO . 1.6 mtt . . . . . 0 N--CA 1.452 -0.349 0 CA-C-O 120.482 0.182 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.535 ' HD3' ' CB ' ' A' ' 1' ' ' MET . 18.1 Cg_endo -75.04 168.66 24.31 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.506 1.793 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.518 HG23 ' CZ ' ' A' ' 55' ' ' TYR . 41.8 t 59.7 59.73 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.355 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.4 t -85.12 -177.06 6.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.371 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.549 ' NE2' ' NE2' ' A' ' 89' ' ' GLN . 0.8 OUTLIER -57.27 -65.09 0.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.342 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.552 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -51.5 -19.25 1.35 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -42.34 57.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.552 1.158 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.511 ' CD1' ' CG1' ' A' ' 74' ' ' VAL . 3.7 mt -95.51 -3.42 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.519 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 2.4 mt -107.19 -40.93 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.552 ' CB ' ' O ' ' A' ' 6' ' ' GLU . . . -93.96 -35.95 12.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.09 -41.82 86.03 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.536 1.147 . . . . 0.0 111.049 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.0 OUTLIER -78.6 -52.99 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.55 0.794 . . . . 0.0 109.245 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 9' ' ' ILE . . . -41.6 -49.41 4.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -59.11 -40.29 84.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.46 ' N ' ' O ' ' A' ' 12' ' ' ILE . 16.2 mt -66.48 -46.69 85.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.576 1.173 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.448 ' O ' ' OG1' ' A' ' 20' ' ' THR . 22.4 mt -55.35 -32.35 29.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 22' ' ' ILE . 1.1 tm-20 -75.42 2.2 12.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -109.37 -37.79 5.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.592 1.182 . . . . 0.0 110.316 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.514 ' CG1' ' OG ' ' A' ' 43' ' ' SER . 2.7 t -86.97 -58.03 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' A' ' 16' ' ' ILE . 29.9 p -84.52 -27.35 27.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 110.372 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.14 28.47 58.28 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.447 1.092 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.49 ' O ' ' CG ' ' A' ' 17' ' ' GLU . 33.7 mt -90.57 166.23 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.47 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 0.6 OUTLIER -65.78 149.96 96.86 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -50.24 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.487 1.783 . . . . 0.0 110.993 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.48 -26.53 68.76 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 110.037 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -60.86 -41.17 95.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.493 HG13 ' CE ' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -61.77 134.08 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.9 p -139.57 163.5 44.74 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.393 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 1.26 7.93 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.461 1.769 . . . . 0.0 110.948 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.05 7.01 46.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 1.174 . . . . 0.0 110.336 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.493 ' CE ' HG13 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -59.73 172.33 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.245 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.561 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -134.6 15.31 3.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.966 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.561 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.3 t80 79.14 -37.31 0.18 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.125 . . . . 0.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.466 ' CG2' ' HA ' ' A' ' 40' ' ' ASP . 1.2 t -136.56 -56.75 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.363 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.478 ' CB ' ' HB3' ' A' ' 32' ' ' SER . 8.8 t70 -38.04 -31.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -104.01 -65.2 1.04 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.424 HD23 ' NZ ' ' A' ' 31' ' ' LYS . 64.1 mt -44.97 -55.31 5.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.364 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER 68.05 12.33 8.75 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.447 1.092 . . . . 0.0 109.348 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.59 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -95.88 -15.53 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.165 . . . . 0.0 109.249 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.59 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 6.4 t70 89.76 -171.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.4 p -89.56 -0.34 57.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.98 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.47 -71.4 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.514 ' OG ' ' CG1' ' A' ' 19' ' ' VAL . 9.8 t -60.7 -46.26 91.07 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 0.0 109.973 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.422 ' CG ' HD12 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -47.27 -34.08 6.25 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -60.16 -37.49 73.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.427 ' CB ' HG13 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -70.44 -55.04 9.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.486 HG13 ' CG2' ' A' ' 19' ' ' VAL . 4.5 mt -42.14 -40.29 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.08 -50.32 16.82 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.574 1.171 . . . . 0.0 109.344 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -46.54 -27.33 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.242 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 54' ' ' LYS . 44.3 mt-30 -88.54 -60.01 2.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.3 m -52.09 -36.83 52.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.369 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -74.95 -4.18 36.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.261 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.9 -61.66 1.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 50' ' ' GLN . 6.1 mtpt -43.38 -41.12 4.01 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.518 ' CZ ' HG23 ' A' ' 3' ' ' VAL . 0.1 OUTLIER -101.0 -44.23 5.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.0 40.69 3.71 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.486 1.117 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.402 HG11 ' CG2' ' A' ' 77' ' ' ILE . 15.5 m -93.48 151.15 3.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.506 0.769 . . . . 0.0 109.225 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.13 118.15 34.08 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.471 ' CG2' HD13 ' A' ' 67' ' ' LEU . 9.1 mt -148.83 64.98 8.01 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.408 ' HD3' ' N ' ' A' ' 59' ' ' ILE . 18.3 Cg_endo -74.98 174.27 13.07 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.47 1.774 . . . . 0.0 111.02 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.407 ' C ' ' N ' ' A' ' 63' ' ' ASP . 0.3 OUTLIER -53.35 -39.58 64.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.265 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -41.88 -26.99 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.713 ' CB ' ' CE2' ' A' ' 76' ' ' TYR . 0.2 OUTLIER -120.3 -44.49 2.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.408 HD11 ' CZ ' ' A' ' 33' ' ' PHE . 0.8 OUTLIER -47.83 -25.0 1.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 63' ' ' ASP . . . -70.64 -41.29 72.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . -78.6 -44.16 11.1 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.496 1.122 . . . . 0.0 110.955 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.492 HD11 ' CG1' ' A' ' 73' ' ' VAL . 10.5 mt -39.25 124.77 1.56 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.603 0.825 . . . . 0.0 109.278 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.43 -42.27 2.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.412 HG21 ' O ' ' A' ' 31' ' ' LYS . 68.9 p -129.19 176.02 8.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.428 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 74' ' ' VAL . 4.0 t -59.11 -45.95 92.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.71 -23.13 42.94 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.502 1.126 . . . . 0.0 110.94 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -93.86 -31.45 14.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 0.746 . . . . 0.0 109.374 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.492 ' CG1' HD11 ' A' ' 67' ' ' LEU . 16.6 t -82.93 -13.01 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.511 ' CG1' ' CD1' ' A' ' 8' ' ' ILE . 43.8 t -99.4 -50.23 10.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.24 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.506 ' HB3' ' CB ' ' A' ' 88' ' ' ALA . . . -44.1 -57.86 3.16 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.713 ' CE2' ' CB ' ' A' ' 63' ' ' ASP . 4.0 t80 -47.79 -24.16 0.91 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 74' ' ' VAL . 1.8 mt -83.42 -75.89 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 81' ' ' GLU . 57.5 mt-30 -52.08 -53.56 40.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.279 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.474 ' CB ' ' O ' ' A' ' 75' ' ' ALA . 8.5 mmmt -40.26 -53.98 2.44 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.481 1.113 . . . . 0.0 109.234 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.49 -41.74 94.88 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 78' ' ' GLN . 0.0 OUTLIER -53.02 -65.62 0.53 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.23 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.408 ' O ' ' CG ' ' A' ' 83' ' ' GLU . 0.8 OUTLIER -125.1 -98.81 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.414 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 30.4 mt-10 -156.23 -72.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.231 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.414 ' CB ' ' O ' ' A' ' 83' ' ' GLU . 5.5 t30 75.44 114.92 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -28.35 9.27 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.513 1.796 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.536 ' O ' ' CB ' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -54.16 -43.37 70.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.36 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.536 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . 86.22 46.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.506 ' CB ' ' HB3' ' A' ' 75' ' ' ALA . . . 62.95 124.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.549 ' NE2' ' NE2' ' A' ' 5' ' ' GLN . 1.9 pt20 -55.54 154.77 6.14 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.534 1.147 . . . . 0.0 110.318 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.418 ' CB ' ' O ' ' A' ' 89' ' ' GLN . . . 79.44 43.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.474 ' C ' ' CD1' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -145.91 151.88 38.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.403 1.065 . . . . 0.0 109.296 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.19 45.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -156.73 -66.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.37 176.93 5.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 23.5 mm -64.17 -63.25 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.46 -80.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 110.338 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.61 126.13 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.984 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.7 19.16 1.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.407 ' O ' ' CG ' ' A' ' 99' ' ' ASN . 15.3 p-10 -51.25 113.0 3.44 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -15.09 20.9 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.57 1.826 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.49 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 1.1 t70 -171.22 -60.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 101' ' ' ASP . . . 83.41 44.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.591 1.182 . . . . 0.0 109.25 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 21.7 t -143.19 169.83 11.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -103.15 -62.99 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.363 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 47.7 t30 175.99 147.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.5 t -124.4 167.63 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -145.05 117.33 8.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 175.14 40.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 109.245 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -128.23 64.91 1.39 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.318 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 19.5 tp -45.29 -73.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.222 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -131.02 -148.12 0.35 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -178.23 68.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -106.4 -62.53 1.38 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 115' ' ' LYS . 3.9 m 62.16 143.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.561 1.163 . . . . 0.0 109.97 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 114' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.584 1.177 . . . . 0.0 109.296 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.414 ' N ' ' HD3' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.366 0 CA-C-O 120.529 0.204 . . . . 0.0 111.042 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.414 ' HD3' ' N ' ' A' ' 1' ' ' MET . 18.4 Cg_endo -74.95 -173.79 1.69 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.489 1.784 . . . . 0.0 110.935 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -108.19 159.11 7.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.475 1.11 . . . . 0.0 109.37 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.421 HG23 ' N ' ' A' ' 5' ' ' GLN . 0.4 OUTLIER -173.03 168.76 4.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.445 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.505 ' NE2' ' NE2' ' A' ' 89' ' ' GLN . 1.5 tp60 -48.76 -68.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.514 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -49.73 -20.86 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 5' ' ' GLN . 0.3 OUTLIER -75.47 -42.74 52.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.331 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.454 HD11 ' CG1' ' A' ' 74' ' ' VAL . 4.2 mt -92.49 -4.07 10.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.51 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 2.7 mt -105.94 -39.84 5.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.347 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 6' ' ' GLU . . . -95.38 -39.8 9.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.58 -41.32 96.16 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.3 mt -78.96 -49.95 19.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.504 0.767 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 9' ' ' ILE . . . -40.09 -47.26 2.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -63.66 -41.09 98.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.494 ' N ' ' O ' ' A' ' 12' ' ' ILE . 84.8 mt -63.53 -43.89 98.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.462 HD12 ' CG1' ' A' ' 27' ' ' ILE . 17.6 mt -58.78 -35.01 53.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.508 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 1.9 tm-20 -74.78 1.51 12.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.517 1.136 . . . . 0.0 110.253 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -108.33 -39.77 5.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.242 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.521 ' CG1' ' OG ' ' A' ' 43' ' ' SER . 3.2 t -85.57 -61.08 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.088 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.456 ' OG1' ' O ' ' A' ' 16' ' ' ILE . 39.9 p -81.46 -27.24 34.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.167 . . . . 0.0 110.388 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.04 23.17 64.23 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.509 1.13 . . . . 0.0 110.986 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.508 ' O ' ' CB ' ' A' ' 17' ' ' GLU . 35.9 mt -85.47 166.22 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.561 0.8 . . . . 0.0 109.369 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.471 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 0.4 OUTLIER -66.38 148.38 98.58 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 110.305 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -49.73 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.444 1.76 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -24.51 67.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.985 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -60.38 -40.57 91.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.497 ' O ' ' CG2' ' A' ' 28' ' ' THR . 0.7 OUTLIER -61.09 149.01 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.497 ' CG2' ' O ' ' A' ' 27' ' ' ILE . 0.7 OUTLIER -165.23 166.3 10.77 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.432 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 46.43 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.58 1.832 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -136.66 -25.21 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.237 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -43.71 163.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.571 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -124.56 13.86 8.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.99 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.603 ' CE1' ' SD ' ' A' ' 44' ' ' MET . 1.5 t80 80.7 -36.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.48 ' CG2' ' HA ' ' A' ' 40' ' ' ASP . 1.1 t -137.41 -56.41 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.441 ' CB ' ' HB3' ' A' ' 32' ' ' SER . 7.3 t0 -37.9 -32.13 0.06 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.428 1.08 . . . . 0.0 109.256 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -105.65 -67.65 0.91 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.478 HD11 ' CG ' ' A' ' 44' ' ' MET . 67.7 mt -40.24 -54.63 2.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.72 13.16 9.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.573 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -94.5 -16.55 7.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.573 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 1.8 t70 88.39 -171.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 53.4 p -88.0 -0.21 56.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.089 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.21 -68.03 0.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 109.265 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.521 ' OG ' ' CG1' ' A' ' 19' ' ' VAL . 17.1 t -65.43 -49.46 69.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.013 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.603 ' SD ' ' CE1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -46.44 -34.21 4.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.6 -35.33 66.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 109.234 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 43' ' ' SER . 0.0 OUTLIER -72.11 -54.88 8.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.256 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.486 HG13 ' CG2' ' A' ' 19' ' ' VAL . 3.3 mt -41.56 -41.58 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.496 ' CB ' ' OE2' ' A' ' 52' ' ' GLU . . . -75.02 -51.46 13.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -46.41 -25.61 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 54' ' ' LYS . 40.8 mt-30 -88.93 -60.61 1.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -51.82 -38.34 55.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.451 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.496 ' OE2' ' CB ' ' A' ' 48' ' ' ALA . 11.5 mt-10 -74.76 -1.63 22.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 110.262 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.12 -63.63 1.39 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 50' ' ' GLN . 1.4 mttp -43.82 -40.92 4.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -105.09 -47.26 4.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.98 36.14 4.03 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.455 HG21 ' CG ' ' A' ' 52' ' ' GLU . 15.5 m -73.2 149.95 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.753 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.52 96.72 10.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.473 HG21 ' CD1' ' A' ' 67' ' ' LEU . 31.3 mt -143.42 71.14 17.82 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.235 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 168.75 24.15 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.533 1.807 . . . . 0.0 111.023 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.9 -41.13 70.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -51.32 -20.74 1.82 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.6 ' CG ' ' CE2' ' A' ' 76' ' ' TYR . 1.0 OUTLIER -113.6 -34.86 5.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.343 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.36 -15.74 28.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.76 -39.07 45.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -76.35 -48.78 8.94 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.568 1.168 . . . . 0.0 111.074 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.674 ' CD2' ' CD2' ' A' ' 76' ' ' TYR . 43.2 mt -39.72 128.17 2.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 0.792 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.86 -41.79 2.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 72' ' ' ASP . 77.6 p -132.95 161.52 34.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 110.363 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.7 t -45.13 -47.98 3.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -50.9 -35.5 32.09 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.5 1.125 . . . . 0.0 110.923 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 69' ' ' THR . 8.0 t0 -83.27 -34.93 25.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 0.754 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.495 ' HA ' ' CD1' ' A' ' 67' ' ' LEU . 23.8 t -73.12 -13.57 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.454 ' CG1' HD11 ' A' ' 8' ' ' ILE . 78.1 t -95.56 -59.28 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.583 1.177 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.456 ' CB ' ' HB1' ' A' ' 88' ' ' ALA . . . -43.8 -55.19 4.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.312 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.674 ' CD2' ' CD2' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -43.79 -26.65 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 111.021 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.469 ' CD1' HD12 ' A' ' 59' ' ' ILE . 2.4 mt -86.8 -76.35 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -46.67 -52.5 13.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 110.355 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 75' ' ' ALA . 1.8 mmmp? -49.51 -41.04 39.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.89 -40.52 73.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.433 ' O ' ' CB ' ' A' ' 82' ' ' GLU . 24.2 mm-40 -83.34 -89.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.334 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.433 ' CB ' ' O ' ' A' ' 81' ' ' GLU . 1.4 pt-20 165.76 89.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.274 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -128.71 -74.78 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.346 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -118.6 80.45 17.0 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 54.97 3.82 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.495 1.787 . . . . 0.0 110.96 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -135.48 -70.55 0.48 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.343 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.48 ' CB ' ' HG ' ' A' ' 91' ' ' LEU . . . -165.86 119.26 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.456 ' HB1' ' CB ' ' A' ' 75' ' ' ALA . . . -49.37 176.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.412 1.07 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.505 ' NE2' ' NE2' ' A' ' 5' ' ' GLN . 2.2 mp0 -72.73 79.43 1.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.569 1.168 . . . . 0.0 110.273 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 171.39 54.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 109.354 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.48 ' HG ' ' CB ' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -145.39 136.07 24.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.2 ptt180 -155.41 42.93 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.256 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -177.58 -65.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -116.58 171.8 7.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.234 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.1 mp -91.17 -41.27 13.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -70.47 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.275 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.67 117.72 0.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.417 1.073 . . . . 0.0 110.002 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -147.39 -43.96 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.589 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 0.2 OUTLIER -48.98 -47.23 75.01 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 99' ' ' ASN . 18.0 Cg_endo -75.06 55.53 4.01 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.497 1.788 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.474 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 6.9 t0 -165.97 -55.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 101' ' ' ASP . . . 81.77 47.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.434 HG13 ' N ' ' A' ' 104' ' ' ALA . 2.8 p 48.64 -166.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.233 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.434 ' N ' HG13 ' A' ' 103' ' ' VAL . . . -97.9 -61.43 1.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 40.8 t30 176.55 176.5 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.5 t -110.06 172.59 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -79.99 -149.68 0.06 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 109' ' ' ARG . . . -111.13 19.19 18.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 108' ' ' ALA . 0.3 OUTLIER 38.42 59.78 1.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.237 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.4 tp -112.97 143.41 44.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -148.69 117.61 6.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 110.247 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -40.89 140.41 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -99.5 -59.49 1.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 25.4 t 54.13 170.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.05 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.256 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.432 ' CB ' ' CD ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.479 0.18 . . . . 0.0 111.025 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.432 ' CD ' ' CB ' ' A' ' 1' ' ' MET . 18.4 Cg_endo -75.08 -61.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.434 1.755 . . . . 0.0 111.0 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.0 p -151.19 50.6 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.168 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.4 t -75.71 -176.3 3.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.413 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.45 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 4.4 tp60 -54.11 -67.06 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.522 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -51.59 -19.7 1.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -75.06 -43.01 55.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.349 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.52 ' CD1' ' CG1' ' A' ' 74' ' ' VAL . 4.8 mt -94.06 -4.07 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 109.214 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.493 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 2.7 mt -105.55 -41.52 6.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.382 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 6' ' ' GLU . . . -93.55 -36.54 12.36 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.44 1.087 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.64 -42.58 79.81 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.386 1.054 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.0 OUTLIER -76.61 -53.27 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.557 0.798 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 9' ' ' ILE . . . -40.45 -48.17 2.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.357 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -59.06 -43.03 91.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.472 ' N ' ' O ' ' A' ' 12' ' ' ILE . 59.7 mt -66.31 -45.96 88.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.444 ' O ' ' OG1' ' A' ' 20' ' ' THR . 39.8 mt -53.93 -30.95 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 22' ' ' ILE . 2.9 tm-20 -77.99 4.05 13.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.152 . . . . 0.0 110.276 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -109.91 -42.78 4.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 0.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.529 ' CG1' ' OG ' ' A' ' 43' ' ' SER . 3.5 t -80.43 -60.64 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.476 ' CG2' ' OG ' ' A' ' 43' ' ' SER . 32.3 p -82.03 -29.12 32.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.342 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.63 20.33 64.09 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.506 ' O ' ' CG ' ' A' ' 17' ' ' GLU . 50.8 mt -82.39 165.87 2.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.521 0.777 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.45 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 3.8 mt-10 -67.74 148.8 98.49 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.241 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.07 -50.17 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.484 1.781 . . . . 0.0 111.034 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.91 -25.37 66.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.001 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -63.84 -44.01 94.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.581 1.176 . . . . 0.0 110.355 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.44 ' CG2' ' HB1' ' A' ' 13' ' ' ALA . 0.8 OUTLIER -60.82 124.26 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.409 1.068 . . . . 0.0 109.315 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.445 ' C ' ' H ' ' A' ' 30' ' ' GLU . 1.1 p -137.92 165.78 31.11 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.358 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.437 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 18.3 Cg_endo -75.0 40.71 0.68 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.56 1.821 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.445 ' H ' ' C ' ' A' ' 28' ' ' THR . 1.8 mm-40 -137.58 6.78 2.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -68.09 169.05 10.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.567 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -129.06 11.59 6.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 109.948 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.567 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.4 t80 80.13 -35.78 0.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.481 ' CG2' ' HA ' ' A' ' 40' ' ' ASP . 1.1 t -137.33 -56.59 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.469 ' CB ' ' HB3' ' A' ' 32' ' ' SER . 19.1 t0 -38.34 -31.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -105.66 -67.86 0.9 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.466 HD12 ' CG ' ' A' ' 44' ' ' MET . 43.9 mt -41.55 -55.39 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 68.31 14.25 9.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.127 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.582 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -95.08 -18.91 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.582 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 5.3 t70 89.8 -172.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.26 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.4 p -85.78 3.35 41.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.969 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -68.41 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.529 ' OG ' ' CG1' ' A' ' 19' ' ' VAL . 25.7 t -66.08 -49.67 66.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.904 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.466 ' CG ' HD12 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -47.07 -30.16 2.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.949 -179.924 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -65.35 -35.99 76.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 43' ' ' SER . 0.3 OUTLIER -72.02 -56.01 6.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.259 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.511 HG13 ' CG2' ' A' ' 19' ' ' VAL . 2.7 mt -39.57 -43.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.401 ' C ' ' N ' ' A' ' 50' ' ' GLN . . . -72.95 -49.33 29.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.41 1.069 . . . . 0.0 109.345 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -48.23 -25.25 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 54' ' ' LYS . 40.7 mt-30 -89.98 -60.51 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -51.97 -37.76 54.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.358 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.402 ' CG ' HG21 ' A' ' 57' ' ' VAL . 16.8 mt-10 -75.7 -1.17 23.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.442 1.089 . . . . 0.0 110.365 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.89 -62.38 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 50' ' ' GLN . 47.1 mttt -44.06 -41.14 5.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -106.48 -48.48 3.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 110.961 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 107.56 17.35 11.38 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.517 1.135 . . . . 0.0 110.955 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.402 HG21 ' CG ' ' A' ' 52' ' ' GLU . 20.5 m -54.17 149.52 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 0.786 . . . . 0.0 109.263 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -94.42 100.65 12.62 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.468 HD13 ' CD1' ' A' ' 77' ' ' ILE . 37.8 mt -149.37 64.43 7.26 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.415 ' HD3' ' N ' ' A' ' 59' ' ' ILE . 18.6 Cg_endo -74.96 169.22 23.09 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.527 1.803 . . . . 0.0 111.087 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.55 -42.04 32.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -51.73 -20.95 2.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.26 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.59 ' CG ' ' CE2' ' A' ' 76' ' ' TYR . 0.7 OUTLIER -113.8 -34.18 5.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.424 1.077 . . . . 0.0 109.304 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.6 -15.56 29.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.01 -37.52 46.88 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -80.54 -45.75 7.76 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.446 1.091 . . . . 0.0 111.006 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.632 ' CD2' ' CD2' ' A' ' 76' ' ' TYR . 15.7 mt -39.94 121.34 1.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 0.765 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.41 -40.44 3.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 69.4 p -134.42 171.97 13.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.409 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.491 ' O ' ' CG2' ' A' ' 74' ' ' VAL . 11.1 t -53.73 -45.67 61.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -53.78 -39.3 61.38 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.509 1.131 . . . . 0.0 111.026 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.459 ' O ' ' CD2' ' A' ' 67' ' ' LEU . 7.3 t0 -79.06 -30.11 43.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 0.76 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.479 ' CG1' HD11 ' A' ' 67' ' ' LEU . 46.2 t -80.13 -14.7 13.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.52 ' CG1' ' CD1' ' A' ' 8' ' ' ILE . 70.7 t -96.75 -53.72 7.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.474 ' HB1' ' CB ' ' A' ' 88' ' ' ALA . . . -48.67 -56.85 7.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.632 ' CD2' ' CD2' ' A' ' 67' ' ' LEU . 1.1 m-30 -41.52 -27.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.977 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.468 ' CD1' HD13 ' A' ' 59' ' ' ILE . 2.9 mt -81.28 -78.12 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 81' ' ' GLU . 31.5 mt-30 -50.72 -51.06 53.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.344 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 75' ' ' ALA . 1.3 mmmp? -39.86 -52.55 2.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.98 -41.07 97.64 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 78' ' ' GLN . 19.1 mt-10 -61.22 -72.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.08 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.463 ' O ' ' CG ' ' A' ' 83' ' ' GLU . 3.4 mt-10 -109.42 -99.95 0.39 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' A' ' 82' ' ' GLU . 33.7 mt-10 -158.62 -75.3 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.405 ' CB ' ' O ' ' A' ' 83' ' ' GLU . 11.7 t30 74.89 80.54 0.15 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.075 . . . . 0.0 109.255 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 5.14 4.19 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.492 1.785 . . . . 0.0 111.062 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.571 ' O ' ' CB ' ' A' ' 87' ' ' ALA . 1.1 tt0 -71.12 -71.75 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.366 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.571 ' CB ' ' O ' ' A' ' 86' ' ' GLU . . . 157.35 47.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.474 ' CB ' ' HB1' ' A' ' 75' ' ' ALA . . . 40.96 34.14 0.26 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 57.54 86.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.34 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 91' ' ' LEU . . . -176.7 -60.0 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.508 ' HG ' ' HB1' ' A' ' 87' ' ' ALA . 6.1 mt 50.18 -179.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.613 1.196 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.529 ' O ' ' CB ' ' A' ' 93' ' ' ALA . 39.0 mtp85 51.15 74.41 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 92' ' ' ARG . . . 86.2 64.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 95' ' ' ILE . 0.0 OUTLIER -91.44 166.3 12.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.355 179.913 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.428 ' C ' ' O ' ' A' ' 94' ' ' LYS . 1.3 tp -38.73 -34.59 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.59 -85.26 0.18 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.624 1.203 . . . . 0.0 110.33 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 168.01 41.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.929 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.404 ' HB3' ' CD2' ' A' ' 91' ' ' LEU . 1.4 mp0 -59.53 -99.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 110.277 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 11.9 t30 54.46 93.66 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.467 ' HD3' ' CD2' ' A' ' 91' ' ' LEU . 18.4 Cg_endo -75.04 -18.79 18.37 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.531 1.806 . . . . 0.0 111.036 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -171.96 127.16 0.59 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.439 1.087 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -178.11 45.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.348 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.448 ' CG1' ' N ' ' A' ' 104' ' ' ALA . 1.2 p -98.68 -158.68 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.418 1.074 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.448 ' N ' ' CG1' ' A' ' 103' ' ' VAL . . . 79.64 33.07 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 109.241 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -48.45 151.77 1.03 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.353 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -123.29 -177.32 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.497 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 2.5 tp60 -103.27 58.34 0.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.254 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.504 ' O ' ' C ' ' A' ' 109' ' ' ARG . . . 83.35 38.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.504 ' C ' ' O ' ' A' ' 108' ' ' ALA . 0.0 OUTLIER 30.52 56.88 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.419 1.074 . . . . 0.0 110.3 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 15.3 tp -150.47 159.48 44.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 52.88 92.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.323 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -125.58 61.2 1.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -168.43 -58.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.563 1.164 . . . . 0.0 110.335 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 27.8 t 63.78 125.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.526 1.142 . . . . 0.0 109.928 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 10.0 tttp . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.347 179.945 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.491 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.507 0.194 . . . . 0.0 111.031 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.5 Cg_endo -74.97 -88.53 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.497 1.788 . . . . 0.0 111.059 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.4 p -176.15 54.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.38 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 t -78.1 -174.31 3.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.347 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.513 ' NE2' ' NE2' ' A' ' 89' ' ' GLN . 4.3 tp60 -54.31 -66.77 0.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.512 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -51.3 -19.84 1.44 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.41 -42.57 58.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.487 HD11 ' CG1' ' A' ' 74' ' ' VAL . 5.0 mt -94.98 -3.65 10.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.5 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 2.8 mt -105.96 -41.54 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 6' ' ' GLU . . . -93.81 -36.36 12.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.242 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.87 -42.41 78.71 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.439 1.087 . . . . 0.0 110.978 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 15' ' ' ILE . 0.8 OUTLIER -76.91 -53.5 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 0.755 . . . . 0.0 109.229 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 9' ' ' ILE . . . -41.07 -47.68 3.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -58.53 -45.22 89.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.252 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.427 ' N ' ' O ' ' A' ' 12' ' ' ILE . 54.8 mt -65.32 -45.26 93.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 109.221 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.476 ' O ' ' OG1' ' A' ' 20' ' ' THR . 22.3 mt -53.12 -33.54 20.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.503 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 22.3 tt0 -75.54 1.81 13.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -105.79 -49.39 3.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.52 ' CG1' ' OG ' ' A' ' 43' ' ' SER . 2.9 t -76.96 -67.4 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.476 ' OG1' ' O ' ' A' ' 16' ' ' ILE . 43.2 p -73.63 -32.86 64.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.23 24.03 49.31 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.45 1.094 . . . . 0.0 111.02 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.503 ' O ' ' CB ' ' A' ' 17' ' ' GLU . 38.5 mt -82.43 166.04 2.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 0.764 . . . . 0.0 109.272 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.479 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 1.2 mt-10 -69.41 153.42 95.84 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -49.88 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.441 1.758 . . . . 0.0 110.943 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.02 -21.79 65.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.162 . . . . 0.0 110.013 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -62.21 -45.42 93.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 110.335 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.457 ' N ' ' CD1' ' A' ' 27' ' ' ILE . 0.7 OUTLIER -62.49 132.82 28.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.253 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.425 ' C ' ' H ' ' A' ' 30' ' ' GLU . 1.3 p -144.56 164.7 26.71 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 110.401 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 42.7 0.87 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.491 1.785 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.425 ' H ' ' C ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -141.18 9.49 2.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.145 . . . . 0.0 110.348 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -71.38 165.97 22.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.562 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -125.89 13.4 7.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.018 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.562 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.1 t80 79.42 -33.82 0.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.468 ' CG2' ' HA ' ' A' ' 40' ' ' ASP . 1.1 t -138.18 -57.68 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.442 ' C ' ' O ' ' A' ' 34' ' ' VAL . 10.5 t0 -37.39 -32.74 0.05 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -104.95 -66.67 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.231 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.2 mt -43.71 -54.23 5.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 109.347 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 34' ' ' VAL . 1.6 t0 65.81 15.88 10.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.567 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -97.98 -17.78 6.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.919 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.567 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 1.7 t70 88.57 -169.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.505 ' O ' ' CG2' ' A' ' 45' ' ' VAL . 13.7 p -90.54 0.5 57.32 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.48 1.112 . . . . 0.0 110.041 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.09 -67.97 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.52 ' OG ' ' CG1' ' A' ' 19' ' ' VAL . 0.7 OUTLIER -65.62 -49.09 70.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.915 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.451 ' SD ' ' CE1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -47.35 -37.48 11.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 110.981 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.505 ' CG2' ' O ' ' A' ' 41' ' ' SER . 1.7 t -57.3 -35.49 49.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.414 ' CB ' HG11 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -73.67 -53.55 10.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.479 HG13 ' CG2' ' A' ' 19' ' ' VAL . 2.4 mt -40.15 -43.44 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.48 -48.57 26.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -48.3 -27.56 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 54' ' ' LYS . 45.5 mt-30 -87.98 -58.39 2.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -51.13 -39.64 56.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.39 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.68 -0.28 20.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.12 -63.84 1.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 50' ' ' GLN . 9.0 mtpt -50.59 -42.69 56.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -100.3 -48.54 4.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 111.007 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.23 29.53 6.71 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.432 1.082 . . . . 0.0 111.076 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 m -59.09 -171.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.514 0.773 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.499 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 0.5 OUTLIER -129.88 100.09 5.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 109.26 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 58' ' ' LYS . 21.8 mt -156.38 78.25 4.17 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 167.75 26.35 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.475 1.776 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.12 -41.02 87.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -54.34 -18.41 4.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -112.26 -33.51 6.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.231 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.447 HD12 ' CZ ' ' A' ' 33' ' ' PHE . 1.0 OUTLIER -54.25 -20.01 6.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.27 -29.73 48.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -79.42 -50.42 5.73 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.554 1.159 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.57 HD22 ' CE2' ' A' ' 76' ' ' TYR . 10.2 mt -38.98 126.83 1.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.792 . . . . 0.0 109.317 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.61 -40.86 2.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 40.7 p -135.09 171.27 14.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.405 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.6 t -54.59 -41.43 55.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.66 -26.92 63.14 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -90.46 -32.87 16.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 0.767 . . . . 0.0 109.286 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.472 ' CG1' HD11 ' A' ' 67' ' ' LEU . 22.1 t -77.28 -13.73 14.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.487 ' CG1' HD11 ' A' ' 8' ' ' ILE . 53.9 t -98.53 -56.58 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.496 ' HB3' ' CB ' ' A' ' 88' ' ' ALA . . . -46.09 -57.34 4.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.267 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.57 ' CE2' HD22 ' A' ' 67' ' ' LEU . 3.2 m-85 -42.07 -30.7 0.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 111.045 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.456 ' CG1' HD11 ' A' ' 59' ' ' ILE . 3.1 mt -84.09 -74.95 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 81' ' ' GLU . 46.1 mt-30 -47.87 -56.85 6.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.344 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 75' ' ' ALA . 35.3 mmtm -39.2 -54.23 1.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.454 ' CB ' ' NZ ' ' A' ' 58' ' ' LYS . 0.2 OUTLIER -63.98 -41.16 97.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 0.0 109.349 179.934 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 78' ' ' GLN . 5.2 mm-40 -59.21 -59.3 5.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.51 ' O ' ' CG ' ' A' ' 83' ' ' GLU . 0.3 OUTLIER -120.32 -101.69 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 82' ' ' GLU . 34.6 mt-10 -160.14 -73.05 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.254 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.431 ' N ' ' HD3' ' A' ' 85' ' ' PRO . 2.9 t30 66.44 63.67 0.87 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.431 ' HD3' ' N ' ' A' ' 84' ' ' ASN . 18.4 Cg_endo -74.99 52.25 3.0 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.531 1.806 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.476 ' O ' ' HB2' ' A' ' 87' ' ' ALA . 9.8 tp10 -134.8 -69.25 0.52 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.165 . . . . 0.0 110.315 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.476 ' HB2' ' O ' ' A' ' 86' ' ' GLU . . . 178.71 137.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 0.0 109.248 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.496 ' CB ' ' HB3' ' A' ' 75' ' ' ALA . . . -73.96 58.03 0.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.513 ' NE2' ' NE2' ' A' ' 5' ' ' GLN . 3.1 mt-30 66.81 59.13 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.345 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -163.79 44.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.455 ' HG ' ' CB ' ' A' ' 87' ' ' ALA . 0.6 OUTLIER -82.85 -173.39 4.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.338 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 91' ' ' LEU . 11.4 mtm180 38.04 42.72 0.48 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -175.37 -42.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.353 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.22 140.94 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.25 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -119.02 -39.4 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.472 1.107 . . . . 0.0 109.253 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -136.41 -45.33 0.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 110.338 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.25 28.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.947 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.479 ' N ' ' CD ' ' A' ' 98' ' ' GLU . 22.9 mp0 -96.1 -167.3 1.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 63.61 72.55 0.54 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -10.91 21.37 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.432 1.754 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -169.73 132.74 1.19 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 109.3 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -176.23 47.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.49 ' CG1' ' N ' ' A' ' 104' ' ' ALA . 0.9 OUTLIER -77.51 -158.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 0.0 109.35 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.49 ' N ' ' CG1' ' A' ' 103' ' ' VAL . . . 163.73 56.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -69.33 139.35 54.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.8 t -146.92 170.22 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.73 -155.08 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 77.41 35.18 0.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -108.8 54.64 0.65 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 0.0 110.241 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 20.7 tp -124.68 140.71 52.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -130.05 -148.28 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 61.27 104.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -128.41 -66.36 0.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 18.6 p -171.27 172.33 5.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.99 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.8 tttt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.348 179.909 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.484 0.183 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.406 ' O ' ' CE1' ' A' ' 55' ' ' TYR . 18.4 Cg_endo -75.01 -162.69 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.526 1.803 . . . . 0.0 111.046 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.578 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 0.5 OUTLIER -142.25 106.72 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.5 m -86.77 -177.23 6.06 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.421 1.075 . . . . 0.0 110.416 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.49 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 4.7 tp60 -54.45 -67.98 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.336 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.53 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -49.79 -19.41 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.218 -179.913 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.474 ' HB3' ' CG2' ' A' ' 3' ' ' VAL . 0.0 OUTLIER -74.25 -43.18 58.02 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.565 1.166 . . . . 0.0 110.356 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.539 ' CD1' ' CG1' ' A' ' 74' ' ' VAL . 6.8 mt -95.19 -3.6 10.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.15 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.49 ' CD1' ' HG3' ' A' ' 5' ' ' GLN . 2.9 mt -106.1 -40.83 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.53 ' CB ' ' O ' ' A' ' 6' ' ' GLU . . . -94.2 -34.77 12.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -71.47 -39.27 61.48 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -76.76 -53.36 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.461 0.742 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -41.43 -46.98 3.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -58.9 -46.7 87.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.34 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.42 HG23 ' NE2' ' A' ' 50' ' ' GLN . 40.6 mt -64.23 -43.72 97.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.481 HD13 ' CG1' ' A' ' 27' ' ' ILE . 10.8 mt -53.68 -31.61 20.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.473 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 1.8 tm-20 -78.07 3.22 15.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -108.48 -45.9 3.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.443 1.089 . . . . 0.0 110.243 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.52 ' CG1' ' OG ' ' A' ' 43' ' ' SER . 2.5 t -80.74 -67.0 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 16' ' ' ILE . 24.5 p -74.9 -25.39 58.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.397 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.19 23.9 70.1 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.555 1.159 . . . . 0.0 111.014 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.474 ' CG2' HD12 ' A' ' 27' ' ' ILE . 59.0 mt -83.75 166.92 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 0.782 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.458 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 2.9 mt-10 -69.39 150.7 97.03 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -49.68 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.02 -24.05 65.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.045 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -66.09 -48.28 71.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.338 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.481 ' CG1' HD13 ' A' ' 16' ' ' ILE . 0.7 OUTLIER -60.35 123.23 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -133.22 170.32 11.69 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.39 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.44 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 18.3 Cg_endo -74.94 2.07 7.0 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.552 1.817 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -91.11 -9.73 44.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.401 ' O ' HG23 ' A' ' 69' ' ' THR . 1.8 mmtt -56.25 164.96 1.15 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.373 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.571 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -125.69 17.7 8.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.977 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.571 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.5 t80 80.27 -38.79 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.475 ' CG2' ' HA ' ' A' ' 40' ' ' ASP . 1.0 OUTLIER -138.53 -54.81 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.342 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.479 ' CB ' ' HB3' ' A' ' 32' ' ' SER . 17.3 t0 -38.16 -31.35 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.155 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.5 OUTLIER -107.28 -66.47 1.02 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.488 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 78.0 mt -39.81 -55.01 2.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.289 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 68.11 10.9 8.11 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.567 1.167 . . . . 0.0 109.319 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.59 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -91.37 -19.53 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.226 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.59 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 2.0 t70 89.26 -171.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.348 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 95.1 p -89.77 3.84 51.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.035 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.25 -70.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.52 ' OG ' ' CG1' ' A' ' 19' ' ' VAL . 0.6 OUTLIER -64.89 -43.33 93.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.028 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.488 ' SD ' ' CD1' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -52.36 -31.08 31.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 111.047 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.2 t -61.88 -38.67 81.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 47' ' ' ILE . 0.2 OUTLIER -70.84 -55.44 8.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.289 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.491 HG13 ' CG2' ' A' ' 19' ' ' VAL . 3.4 mt -39.27 -42.47 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.351 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.404 ' C ' ' N ' ' A' ' 50' ' ' GLN . . . -75.87 -46.73 28.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -48.31 -24.71 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 54' ' ' LYS . 47.2 mt-30 -90.08 -60.47 1.92 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.264 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -51.3 -39.27 56.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.417 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.476 ' CG ' HG21 ' A' ' 57' ' ' VAL . 20.8 mt-10 -74.41 -1.7 22.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.39 -61.51 1.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.414 1.071 . . . . 0.0 109.315 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' GLN . 1.4 mtpp -43.74 -42.46 5.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.406 ' CE1' ' O ' ' A' ' 2' ' ' PRO . 0.2 OUTLIER -104.93 -50.48 3.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 105.0 39.27 2.34 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.476 HG21 ' CG ' ' A' ' 52' ' ' GLU . 3.7 m -73.45 151.3 7.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.517 0.775 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.97 113.54 27.15 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.469 1.106 . . . . 0.0 109.351 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.468 HG22 ' CD1' ' A' ' 67' ' ' LEU . 13.5 mt -150.66 76.18 8.29 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.435 1.084 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 170.0 21.38 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.502 1.791 . . . . 0.0 111.055 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.91 -40.16 79.7 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -46.55 -23.91 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.491 ' OD1' ' CD2' ' A' ' 76' ' ' TYR . 0.4 OUTLIER -113.67 -37.18 4.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.286 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.51 -19.43 9.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.53 -40.34 76.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -80.56 -45.48 7.9 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.489 1.118 . . . . 0.0 110.941 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.602 ' CD2' ' CD2' ' A' ' 76' ' ' TYR . 14.8 mt -38.98 115.66 0.5 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.42 0.717 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.98 -37.84 4.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 110.355 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 31' ' ' LYS . 42.4 p -132.48 170.69 14.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.379 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.526 ' O ' ' N ' ' A' ' 74' ' ' VAL . 4.7 t -56.12 -55.41 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -43.03 -32.15 1.43 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.54 1.15 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.573 ' OD1' ' CE1' ' A' ' 76' ' ' TYR . 6.3 t0 -87.49 -37.27 17.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 0.749 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.48 ' CG1' HD12 ' A' ' 67' ' ' LEU . 39.7 t -74.68 -12.16 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.539 ' CG1' ' CD1' ' A' ' 8' ' ' ILE . 78.3 t -98.12 -58.23 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 79' ' ' LYS . . . -49.52 -56.14 10.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.602 ' CD2' ' CD2' ' A' ' 67' ' ' LEU . 2.5 m-85 -41.41 -26.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 111.044 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.41 ' CD1' HD13 ' A' ' 59' ' ' ILE . 3.1 mt -75.21 -65.5 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.483 ' NE2' ' O ' ' A' ' 3' ' ' VAL . 24.6 mt-30 -83.41 -62.66 1.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 75' ' ' ALA . 15.5 mmtm -35.71 -41.62 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.316 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.533 ' CB ' ' O ' ' A' ' 76' ' ' TYR . 0.3 OUTLIER -71.98 -64.16 0.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -39.66 -28.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 0.0 110.255 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 80' ' ' LEU . 1.9 mt-10 -102.63 -95.67 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -155.51 -77.4 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.326 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.438 ' OD1' ' CE ' ' A' ' 79' ' ' LYS . 34.6 t30 70.33 74.38 0.26 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.161 . . . . 0.0 109.27 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 50.08 2.44 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.506 1.793 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.47 ' O ' ' CD1' ' A' ' 95' ' ' ILE . 1.2 tp10 -142.53 -69.37 0.35 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.337 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.522 ' CB ' ' CB ' ' A' ' 91' ' ' LEU . . . -178.69 -73.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.258 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.427 ' HB3' ' CB ' ' A' ' 75' ' ' ALA . . . -176.22 -161.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -88.98 44.94 1.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -163.15 -65.28 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.522 ' CB ' ' CB ' ' A' ' 87' ' ' ALA . 2.6 mm? -40.65 154.54 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -163.03 44.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -178.02 -61.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -115.89 178.33 4.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.42 1.075 . . . . 0.0 109.353 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.47 ' CD1' ' O ' ' A' ' 86' ' ' GLU . 10.6 mm -89.52 -63.92 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.208 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 98' ' ' GLU . 0.0 OUTLIER -92.58 -38.33 11.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.244 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 98' ' ' GLU . 3.3 m -66.42 74.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.052 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.448 ' HA ' ' CD1' ' A' ' 91' ' ' LEU . 0.9 OUTLIER -36.73 145.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 110.282 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 99' ' ' ASN . 4.6 p-10 -39.66 100.11 0.21 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.405 ' N ' ' O ' ' A' ' 98' ' ' GLU . 18.3 Cg_endo -75.0 -5.95 17.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.534 1.807 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.405 ' O ' ' CB ' ' A' ' 102' ' ' ALA . 3.2 t0 -160.82 -45.49 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 101' ' ' ASP . . . 77.71 36.22 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.457 ' CG1' ' N ' ' A' ' 104' ' ' ALA . 1.3 p -127.63 -158.94 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.457 ' N ' ' CG1' ' A' ' 103' ' ' VAL . . . -115.31 -65.0 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.248 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -53.41 156.15 2.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 109.298 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.1 t -146.64 161.88 9.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.472 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 0.0 OUTLIER -130.22 -154.98 0.67 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 110.311 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 107' ' ' GLN . . . 81.56 43.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 109.341 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.442 ' NH2' ' O ' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -117.21 54.59 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.271 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -132.02 134.06 45.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.563 1.164 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -146.4 59.83 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.33 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 53.08 -179.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 0.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.56 -59.65 0.85 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 54.2 171.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.522 1.139 . . . . 0.0 109.999 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.282 -179.984 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.48 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 1.4 ttt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.525 0.203 . . . . 0.0 111.062 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.2 Cg_endo -75.09 -7.92 19.51 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.575 1.829 . . . . 0.0 111.012 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.487 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 8.9 p -141.4 76.57 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.454 ' OG1' ' N ' ' A' ' 5' ' ' GLN . 6.6 t -84.05 -174.38 5.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.414 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.454 ' N ' ' OG1' ' A' ' 4' ' ' THR . 2.4 tp60 -57.92 -65.17 0.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.513 ' O ' ' CB ' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -51.52 -19.01 1.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.587 1.179 . . . . 0.0 110.251 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.439 ' CG ' ' OH ' ' A' ' 55' ' ' TYR . 0.0 OUTLIER -75.32 -45.03 42.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 110.322 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.481 ' CD1' ' CG1' ' A' ' 74' ' ' VAL . 4.1 mt -91.77 -3.57 10.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.373 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.495 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 2.7 mt -105.36 -42.15 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.395 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 6' ' ' GLU . . . -93.32 -36.44 12.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.36 -41.94 83.92 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.458 1.099 . . . . 0.0 110.94 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.425 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.0 OUTLIER -77.58 -53.46 14.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.509 0.77 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 9' ' ' ILE . . . -41.5 -49.96 3.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -57.37 -43.17 83.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 12' ' ' ILE . 98.9 mt -66.4 -47.75 83.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.466 ' O ' ' OG1' ' A' ' 20' ' ' THR . 21.8 mt -53.33 -34.12 22.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.227 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.479 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 0.1 OUTLIER -76.44 3.67 10.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -110.79 -47.4 3.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.499 ' CG1' ' OG ' ' A' ' 43' ' ' SER . 3.3 t -76.28 -64.21 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.477 ' CG2' ' OG ' ' A' ' 43' ' ' SER . 45.8 p -79.17 -30.76 43.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 110.345 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.59 23.56 53.14 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.513 1.133 . . . . 0.0 111.063 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.479 ' O ' ' CB ' ' A' ' 17' ' ' GLU . 41.6 mt -82.73 165.56 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.453 0.737 . . . . 0.0 109.281 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.466 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 0.3 OUTLIER -66.27 152.37 94.35 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.444 1.09 . . . . 0.0 110.209 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -54.51 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.494 1.786 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.26 -23.56 67.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.469 1.106 . . . . 0.0 109.928 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -61.39 -44.23 97.51 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.559 1.162 . . . . 0.0 110.342 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.504 ' O ' ' CG2' ' A' ' 28' ' ' THR . 0.7 OUTLIER -59.66 143.91 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.504 ' CG2' ' O ' ' A' ' 27' ' ' ILE . 0.2 OUTLIER -170.21 168.82 4.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 110.392 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 49.01 2.14 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.55 1.816 . . . . 0.0 111.075 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -132.21 -29.41 1.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.33 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.505 ' O ' ' CG2' ' A' ' 69' ' ' THR . 10.1 mmtt -49.58 167.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.369 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.557 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -129.31 23.33 5.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.028 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.694 ' CD2' ' CE ' ' A' ' 44' ' ' MET . 0.4 OUTLIER 78.97 -39.29 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.471 ' CG2' ' HA ' ' A' ' 40' ' ' ASP . 1.0 OUTLIER -140.06 -54.31 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.471 ' CB ' ' HB3' ' A' ' 32' ' ' SER . 6.2 t70 -37.87 -31.54 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -106.73 -66.0 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.492 ' CD2' ' NZ ' ' A' ' 31' ' ' LYS . 79.1 mt -41.99 -56.39 2.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.03 14.2 8.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.352 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.601 ' O ' ' CB ' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -95.44 -16.51 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.264 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.601 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 7.7 t0 89.83 -172.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 109.348 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.5 p -90.47 3.45 53.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.005 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.56 -69.52 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.499 ' OG ' ' CG1' ' A' ' 19' ' ' VAL . 42.9 t -62.23 -53.88 48.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.945 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.694 ' CE ' ' CD2' ' A' ' 33' ' ' PHE . 4.3 mtm -42.64 -37.36 1.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.1 t -55.09 -40.0 52.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 43' ' ' SER . 0.4 OUTLIER -69.45 -53.88 17.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.255 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.486 HG13 ' CG2' ' A' ' 19' ' ' VAL . 3.5 mt -41.27 -41.69 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.489 ' CB ' ' OE1' ' A' ' 52' ' ' GLU . . . -77.49 -47.72 18.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -47.8 -24.59 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 54' ' ' LYS . 46.6 mt-30 -91.78 -60.94 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.274 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.8 m -52.52 -34.83 51.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 110.391 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.489 ' OE1' ' CB ' ' A' ' 48' ' ' ALA . 8.3 mt-10 -78.88 -1.97 37.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.43 -62.0 1.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 50' ' ' GLN . 19.2 mtmt -43.63 -41.75 4.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.439 ' OH ' ' CG ' ' A' ' 7' ' ' GLU . 1.3 m-85 -103.13 -47.13 4.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.56 1.163 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 101.56 33.11 4.9 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.526 1.141 . . . . 0.0 111.035 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.466 HG21 ' CG ' ' A' ' 52' ' ' GLU . 21.7 m -72.11 148.89 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 0.78 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.437 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -102.33 117.44 34.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 109.326 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.437 ' CG1' ' O ' ' A' ' 58' ' ' LYS . 36.1 mt -154.29 74.67 6.04 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 172.42 16.4 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.57 1.826 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.92 -39.31 74.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.35 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -43.21 -26.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.266 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.689 ' CB ' ' CE2' ' A' ' 76' ' ' TYR . 0.1 OUTLIER -115.52 -39.42 3.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.404 ' CD1' ' CZ ' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -52.12 -21.78 3.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.55 -30.78 67.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -91.97 -56.89 1.55 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.589 1.18 . . . . 0.0 110.956 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.51 ' HB3' ' CG2' ' A' ' 73' ' ' VAL . 10.4 mt -39.11 115.71 0.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 0.756 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.14 -52.8 2.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.505 ' CG2' ' O ' ' A' ' 31' ' ' LYS . 70.3 p -107.71 163.41 13.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.404 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.513 ' O ' ' CG2' ' A' ' 74' ' ' VAL . 16.1 t -53.29 -41.78 44.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.01 -36.09 66.23 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.563 1.164 . . . . 0.0 111.057 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -85.85 -31.09 22.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.747 . . . . 0.0 109.301 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.51 ' CG2' ' HB3' ' A' ' 67' ' ' LEU . 16.4 t -79.18 -12.83 13.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.513 ' CG2' ' O ' ' A' ' 70' ' ' VAL . 73.8 t -97.22 -49.09 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.516 ' O ' ' CG ' ' A' ' 79' ' ' LYS . . . -44.11 -56.59 3.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.689 ' CE2' ' CB ' ' A' ' 63' ' ' ASP . 4.3 t80 -48.34 -27.06 2.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.405 ' N ' ' O ' ' A' ' 74' ' ' VAL . 4.9 mt -74.49 -73.16 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 81' ' ' GLU . 35.6 mt-30 -59.17 -52.57 65.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 110.344 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.516 ' CG ' ' O ' ' A' ' 75' ' ' ALA . 6.3 mmmt -37.52 -36.88 0.18 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.438 1.086 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.43 -50.45 11.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 78' ' ' GLN . 0.9 OUTLIER -48.63 -43.15 36.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.298 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.503 ' O ' ' CG ' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -124.07 -104.2 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.253 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 82' ' ' GLU . 34.8 mt-10 -159.59 -72.94 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 110.313 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.451 ' O ' ' NZ ' ' A' ' 79' ' ' LYS . 3.1 t30 65.68 82.06 0.21 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 54.88 3.77 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.527 1.804 . . . . 0.0 110.964 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -141.16 -73.03 0.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -179.78 -73.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.071 . . . . 0.0 109.37 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.464 ' CB ' ' HB2' ' A' ' 75' ' ' ALA . . . 176.65 -167.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -86.55 80.57 8.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 179.06 -57.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.402 HD13 ' N ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -46.9 148.3 1.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.266 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -165.83 47.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -175.78 -68.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.551 1.157 . . . . 0.0 109.394 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -97.46 165.57 11.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 2.8 mp -75.33 -57.9 5.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.73 -78.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.93 122.59 0.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 109.934 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -114.5 -63.83 1.4 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.13 . . . . 0.0 110.31 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 170.57 135.31 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -5.06 16.3 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.512 1.796 . . . . 0.0 111.043 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -164.9 123.62 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -150.05 39.9 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.467 ' CG1' ' N ' ' A' ' 104' ' ' ALA . 1.1 p -138.0 -158.47 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.467 ' N ' ' CG1' ' A' ' 103' ' ' VAL . . . 78.77 35.34 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 12.1 p30 176.96 161.24 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.549 ' CG1' ' N ' ' A' ' 107' ' ' GLN . 1.9 p -149.27 -149.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.549 ' N ' ' CG1' ' A' ' 106' ' ' VAL . 1.0 OUTLIER 65.61 144.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -103.35 16.69 25.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 42.57 60.93 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.284 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 68.2 tp -109.33 138.02 46.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -138.01 -148.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 171.64 65.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.7 -30.82 41.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.355 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.9 m 52.61 -176.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 109.95 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.424 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 2.5 tp-100 -62.45 -62.93 1.41 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 110.283 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.794 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -51.94 -18.2 1.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.337 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.403 ' O ' ' HA3' ' A' ' 11' ' ' GLY . 0.1 OUTLIER -76.27 -47.42 23.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.266 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 1.093 HD12 HG13 ' A' ' 74' ' ' VAL . 5.8 mt -88.72 -3.96 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.623 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.8 mt -105.36 -42.23 6.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.112 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.794 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -93.41 -38.99 11.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 7' ' ' GLU . . . -65.69 -41.56 95.81 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.554 HD11 HG21 ' A' ' 51' ' ' THR . 0.9 OUTLIER -77.89 -51.79 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.623 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -42.46 -46.96 4.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -59.14 -47.04 86.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.8 mt -62.4 -42.14 94.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.505 HD12 ' CG1' ' A' ' 27' ' ' ILE . 6.3 mt -55.36 -33.67 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.464 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 4.2 tm-20 -74.98 1.29 13.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.59 -43.97 4.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.802 HG12 ' OG ' ' A' ' 43' ' ' SER . 2.6 t -84.45 -65.56 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.25 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.71 HG23 HD11 ' A' ' 47' ' ' ILE . 41.7 p -76.83 -20.4 56.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 70.61 21.8 77.82 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.502 1.126 . . . . 0.0 111.047 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.5 HG22 ' N ' ' A' ' 23' ' ' GLU . 55.5 mt -81.01 165.35 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.5 ' N ' HG22 ' A' ' 22' ' ' ILE . 3.4 mt-10 -69.57 154.05 95.16 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.259 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.432 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 18.3 Cg_endo -75.01 -49.91 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.498 1.788 . . . . 0.0 110.951 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.68 -24.05 64.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.972 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.436 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 13.9 tt0 -63.7 -46.15 86.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.546 HD12 ' HZ3' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -61.76 132.32 27.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.409 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 0.6 OUTLIER -137.62 167.34 20.89 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 110.366 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.472 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 18.3 Cg_endo -75.01 1.86 7.28 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.781 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.08 2.18 53.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.546 ' HZ3' HD12 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -61.08 167.94 2.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.795 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -128.53 12.33 6.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.972 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.566 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.3 t80 79.91 -36.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.55 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -136.89 -56.59 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.55 ' N ' HG12 ' A' ' 34' ' ' VAL . 17.3 t0 -38.3 -31.34 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -105.69 -67.98 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.407 HD12 ' SD ' ' A' ' 44' ' ' MET . 47.3 mt -41.82 -55.3 3.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 68.7 12.05 8.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.607 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -91.76 -17.63 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.573 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 6.2 t70 88.0 -170.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.678 ' O ' HG23 ' A' ' 45' ' ' VAL . 14.0 p -87.51 -0.18 56.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.47 -67.86 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.802 ' OG ' HG12 ' A' ' 19' ' ' VAL . 6.6 t -65.52 -48.83 71.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.024 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.52 ' SD ' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -47.22 -35.48 7.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 111.003 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 41' ' ' SER . 2.0 t -60.88 -33.4 55.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.634 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -74.43 -54.14 8.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.334 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.71 HD11 HG23 ' A' ' 20' ' ' THR . 3.5 mt -43.51 -38.45 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.892 ' HB1' ' OE2' ' A' ' 52' ' ' GLU . . . -73.77 -48.38 32.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.634 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -48.61 -25.96 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 54' ' ' LYS . 33.9 mt-30 -89.04 -59.78 2.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.125 . . . . 0.0 110.306 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.554 HG21 HD11 ' A' ' 12' ' ' ILE . 3.0 m -51.47 -38.98 56.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.415 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.892 ' OE2' ' HB1' ' A' ' 48' ' ' ALA . 1.5 mt-10 -74.82 -2.12 25.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.336 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.23 -60.76 1.82 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 50' ' ' GLN . 11.6 mttt -40.85 -42.33 1.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.451 ' CD1' ' CG1' ' A' ' 57' ' ' VAL . 44.8 t80 -106.86 -53.16 2.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 111.043 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.38 26.13 4.69 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.488 1.118 . . . . 0.0 110.974 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.534 HG22 ' HA ' ' A' ' 52' ' ' GLU . 9.7 m -64.5 158.03 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.78 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.42 104.08 15.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.747 ' O ' HG22 ' A' ' 59' ' ' ILE . 41.1 mt -148.53 65.93 8.8 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 169.67 22.11 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.428 1.751 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.23 -42.01 39.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -51.74 -20.77 2.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.282 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.604 ' CG ' ' CE2' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -113.64 -34.15 5.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.265 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.677 HD13 ' O ' ' A' ' 64' ' ' LEU . 0.7 OUTLIER -60.94 -15.37 30.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.13 -38.22 36.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -78.95 -46.98 7.96 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.908 ' HB3' HG22 ' A' ' 73' ' ' VAL . 19.0 mt -39.75 115.41 0.52 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 0.76 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.96 -40.18 5.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.324 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.894 ' O ' HG23 ' A' ' 73' ' ' VAL . 35.8 p -134.01 175.5 9.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.41 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.634 ' O ' HG23 ' A' ' 74' ' ' VAL . 5.7 t -57.33 -49.4 80.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -49.95 -37.03 28.34 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.125 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.566 ' C ' HD22 ' A' ' 67' ' ' LEU . 2.2 t70 -80.56 -35.56 34.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 0.788 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.908 HG22 ' HB3' ' A' ' 67' ' ' LEU . 48.2 t -72.18 -15.87 18.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 1.093 HG13 HD12 ' A' ' 8' ' ' ILE . 80.0 t -94.55 -55.72 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.59 ' HB1' ' HG3' ' A' ' 79' ' ' LYS . . . -46.0 -55.28 7.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.844 ' CG ' HD21 ' A' ' 67' ' ' LEU . 1.8 m-30 -42.3 -27.36 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.517 ' CG1' HD11 ' A' ' 59' ' ' ILE . 2.7 mt -85.29 -75.92 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -48.91 -54.31 15.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.59 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 23.3 mmtm . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.627 HG22 ' H ' ' A' ' 5' ' ' GLN . 32.8 m . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.627 ' H ' HG22 ' A' ' 4' ' ' THR . 2.7 tp-100 -48.96 -69.16 0.13 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.468 1.105 . . . . 0.0 110.364 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.733 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -50.39 -21.08 1.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.491 ' HB2' ' N ' ' A' ' 4' ' ' THR . 0.6 OUTLIER -74.29 -43.48 56.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 1.045 ' CD1' HG13 ' A' ' 74' ' ' VAL . 4.1 mt -92.9 -4.13 10.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.144 . . . . 0.0 109.344 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.605 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.8 mt -105.06 -41.59 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.733 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -92.76 -35.99 13.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 109.223 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.34 -42.74 73.37 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.474 1.109 . . . . 0.0 110.952 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.0 OUTLIER -76.17 -53.53 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 0.791 . . . . 0.0 109.24 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -40.46 -46.97 2.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -59.64 -43.64 93.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.326 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.473 ' N ' ' O ' ' A' ' 12' ' ' ILE . 32.4 mt -64.84 -44.55 96.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.436 1.085 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.561 HD12 HG12 ' A' ' 27' ' ' ILE . 26.1 mt -53.82 -32.33 21.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.517 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 0.3 OUTLIER -76.77 3.19 12.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.11 -45.25 3.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.266 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.768 HG12 ' OG ' ' A' ' 43' ' ' SER . 2.8 t -79.02 -62.69 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.409 1.068 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.471 HG22 ' OG ' ' A' ' 43' ' ' SER . 36.7 p -80.34 -30.99 38.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 110.423 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.1 24.53 51.88 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.452 1.095 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.517 ' O ' ' CB ' ' A' ' 17' ' ' GLU . 33.1 mt -85.5 166.15 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.492 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -68.84 148.22 97.94 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.419 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 18.2 Cg_endo -75.08 -50.0 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.468 1.773 . . . . 0.0 110.946 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.27 -24.64 67.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 110.02 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -62.57 -42.64 99.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 110.324 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.561 HG12 HD12 ' A' ' 16' ' ' ILE . 0.7 OUTLIER -61.37 130.97 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.245 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.452 ' C ' ' H ' ' A' ' 30' ' ' GLU . 0.9 OUTLIER -141.02 165.74 27.33 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.436 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.416 ' HB3' HD11 ' A' ' 9' ' ' ILE . 18.2 Cg_endo -75.05 40.35 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.452 ' H ' ' C ' ' A' ' 28' ' ' THR . 1.7 mm-40 -138.56 8.93 2.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.082 . . . . 0.0 110.314 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.413 ' NZ ' ' HB3' ' A' ' 36' ' ' ASP . 1.4 mmtt -69.6 167.92 15.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.788 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -129.09 12.31 6.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.035 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.635 ' HZ ' HD11 ' A' ' 64' ' ' LEU . 1.4 t80 79.62 -36.26 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 111.064 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.555 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -136.51 -56.86 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.555 ' N ' HG12 ' A' ' 34' ' ' VAL . 3.3 t70 -39.09 -30.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER -105.41 -67.31 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.413 1.071 . . . . 0.0 109.312 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.524 HD12 ' O ' ' A' ' 33' ' ' PHE . 78.5 mt -42.44 -54.86 3.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 t70 68.92 11.46 8.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.279 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.707 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -93.62 -13.73 8.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.577 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 12.5 t0 88.38 -171.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.9 p -90.8 -1.44 57.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.561 1.163 . . . . 0.0 109.976 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.95 -68.06 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.768 ' OG ' HG12 ' A' ' 19' ' ' VAL . 9.8 t -63.62 -47.22 82.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.992 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.458 ' SD ' ' CE2' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -48.39 -33.64 9.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -61.84 -33.94 60.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.441 1.088 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.573 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -73.5 -54.27 8.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 110.326 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.492 HG13 ' CG2' ' A' ' 19' ' ' VAL . 3.2 mt -40.41 -46.08 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.698 ' HB1' ' OE2' ' A' ' 52' ' ' GLU . . . -71.41 -46.11 61.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.573 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -48.51 -27.38 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.559 1.162 . . . . 0.0 109.247 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.449 ' HB2' HD13 ' A' ' 15' ' ' ILE . 32.7 mt-30 -87.7 -60.35 1.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.272 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.552 HG22 HG21 ' A' ' 57' ' ' VAL . 1.1 m -51.66 -38.89 56.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.354 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.795 ' HA ' HG22 ' A' ' 57' ' ' VAL . 20.1 mt-10 -73.84 -2.97 25.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.102 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.32 -63.76 1.4 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' GLN . 23.3 mttt -44.0 -40.85 5.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.527 ' HB3' HG13 ' A' ' 57' ' ' VAL . 0.9 OUTLIER -104.18 -43.47 5.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 110.977 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 102.95 7.12 44.84 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.523 1.139 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.795 HG22 ' HA ' ' A' ' 52' ' ' GLU . 15.3 m -43.62 149.74 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.784 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.28 97.22 9.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.152 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.775 HD11 HG12 ' A' ' 77' ' ' ILE . 45.8 mt -146.78 74.62 12.25 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 169.83 21.75 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.494 1.787 . . . . 0.0 111.038 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.25 -40.51 77.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -53.37 -19.18 3.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.613 ' OD1' ' CE2' ' A' ' 76' ' ' TYR . 0.3 OUTLIER -112.39 -34.79 5.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.231 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.635 HD11 ' HZ ' ' A' ' 33' ' ' PHE . 0.8 OUTLIER -60.42 -15.48 26.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.67 -36.89 59.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.25 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -78.7 -47.31 7.96 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.904 ' HB3' HG22 ' A' ' 73' ' ' VAL . 26.8 mt -39.45 119.6 0.96 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 0.788 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.74 -37.92 4.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.258 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.788 HG22 ' HA ' ' A' ' 32' ' ' SER . 42.8 p -135.67 168.99 18.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 110.374 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.539 ' O ' HG23 ' A' ' 74' ' ' VAL . 12.4 t -52.26 -53.7 17.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -44.34 -37.71 4.81 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.48 1.112 . . . . 0.0 110.972 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.561 ' C ' HD22 ' A' ' 67' ' ' LEU . 8.4 t0 -80.64 -38.45 29.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 0.784 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.904 HG22 ' HB3' ' A' ' 67' ' ' LEU . 35.2 t -70.06 -15.55 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.251 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 1.045 HG13 ' CD1' ' A' ' 8' ' ' ILE . 96.7 t -97.27 -55.11 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.582 1.176 . . . . 0.0 109.236 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.52 ' HB1' ' HG3' ' A' ' 79' ' ' LYS . . . -48.92 -54.8 13.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.244 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.902 ' CD2' HD21 ' A' ' 67' ' ' LEU . 1.8 m-30 -43.4 -28.39 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.775 HG12 HD11 ' A' ' 59' ' ' ILE . 1.8 mt -80.4 -76.24 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.354 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -49.69 -53.33 25.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 110.236 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.52 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.637 HG23 ' N ' ' A' ' 5' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.44 -0.207 . . . . 0.0 110.44 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.637 ' N ' HG23 ' A' ' 4' ' ' THR . 2.8 tp-100 -48.14 -69.96 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.7 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -48.44 -21.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.36 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.449 ' HB2' ' N ' ' A' ' 4' ' ' THR . 1.0 OUTLIER -74.57 -46.94 35.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 110.291 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 1.073 ' CD1' HG13 ' A' ' 74' ' ' VAL . 6.0 mt -88.14 -3.54 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.545 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.9 mt -105.15 -42.01 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.7 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -92.74 -36.04 13.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.34 -42.99 72.46 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.415 ' HB ' ' O ' ' A' ' 8' ' ' ILE . 0.8 OUTLIER -75.22 -53.38 16.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 109.343 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.545 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -42.53 -45.96 4.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -58.9 -44.86 91.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.579 1.174 . . . . 0.0 110.282 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 12' ' ' ILE . 14.4 mt -66.06 -42.58 91.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.474 HG23 ' OG1' ' A' ' 20' ' ' THR . 5.6 mt -53.58 -34.36 23.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.426 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 0.7 OUTLIER -73.12 -0.03 12.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.16 . . . . 0.0 110.28 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -105.35 -45.01 4.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.424 1.077 . . . . 0.0 110.41 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.778 HG12 ' OG ' ' A' ' 43' ' ' SER . 2.8 t -83.42 -67.62 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.6 1.188 . . . . 0.0 109.354 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.488 HG23 HD11 ' A' ' 47' ' ' ILE . 70.3 p -74.4 -22.82 58.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.59 1.181 . . . . 0.0 110.414 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.61 23.47 77.85 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.557 1.16 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.469 HG22 ' N ' ' A' ' 23' ' ' GLU . 48.8 mt -83.01 163.56 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.462 0.742 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.469 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -67.95 154.32 93.9 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.355 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -49.35 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.485 1.781 . . . . 0.0 111.049 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.47 -23.47 64.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 109.946 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.457 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 26.2 tt0 -61.35 -42.41 98.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.251 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.482 ' N ' ' CD1' ' A' ' 27' ' ' ILE . 0.6 OUTLIER -64.85 137.62 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.422 ' C ' ' H ' ' A' ' 30' ' ' GLU . 1.5 p -147.93 164.46 22.23 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.408 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.471 ' HB3' HD11 ' A' ' 9' ' ' ILE . 18.7 Cg_endo -74.93 43.05 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.537 1.809 . . . . 0.0 111.038 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.422 ' H ' ' C ' ' A' ' 28' ' ' THR . 4.1 pt-20 -140.31 8.74 2.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.428 ' HB2' HG23 ' A' ' 70' ' ' VAL . 0.9 OUTLIER -68.75 164.63 21.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.591 1.182 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.83 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -127.02 12.31 7.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.384 1.053 . . . . 0.0 109.981 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.556 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.1 t80 79.36 -31.5 0.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 110.965 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.56 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -140.15 -57.73 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.56 ' N ' HG12 ' A' ' 34' ' ' VAL . 13.6 t0 -38.78 -31.02 0.05 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -107.16 -66.78 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.462 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 71.6 mt -43.52 -53.89 5.24 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER 65.72 16.35 10.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.699 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -99.7 -14.52 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.564 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 2.3 t70 87.14 -170.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.8 p -90.08 4.75 49.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 110.037 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.51 -69.83 0.34 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.778 ' OG ' HG12 ' A' ' 19' ' ' VAL . 21.8 t -62.7 -48.06 80.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.965 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.462 ' SD ' ' CD1' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -48.27 -31.9 6.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 111.021 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.2 t -64.13 -31.93 55.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.355 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.495 ' CB ' HG11 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -75.77 -54.47 6.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.309 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.501 HG13 ' CG2' ' A' ' 19' ' ' VAL . 3.5 mt -41.68 -40.76 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.496 1.122 . . . . 0.0 109.239 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.99 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -75.53 -49.7 17.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.44 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -47.51 -26.6 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 54' ' ' LYS . 33.9 mt-30 -87.8 -59.72 2.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -51.27 -39.75 57.43 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.99 ' OE1' ' HB1' ' A' ' 48' ' ' ALA . 4.9 mt-10 -74.35 -0.46 17.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.369 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.7 -64.69 1.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.258 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 50' ' ' GLN . 7.7 mtpp -44.65 -41.39 6.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.41 ' OH ' ' CD ' ' A' ' 7' ' ' GLU . 1.2 m-85 -104.4 -45.99 4.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 98.08 34.18 5.49 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.527 HG22 ' HA ' ' A' ' 52' ' ' GLU . 5.4 m -70.91 157.95 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.606 0.827 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.61 98.75 10.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.841 HD11 ' CD1' ' A' ' 77' ' ' ILE . 28.5 mt -150.76 69.13 8.5 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 169.47 22.54 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.527 1.804 . . . . 0.0 111.021 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.07 -40.32 67.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -50.82 -21.66 1.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.506 ' OD1' ' CE2' ' A' ' 76' ' ' TYR . 0.6 OUTLIER -114.38 -34.86 5.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.57 HD13 ' O ' ' A' ' 64' ' ' LEU . 0.9 OUTLIER -58.69 -16.99 18.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.362 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.33 -42.28 37.31 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.71 -43.08 37.02 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.937 HD13 HG13 ' A' ' 73' ' ' VAL . 19.3 mt -39.57 117.03 0.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 0.766 . . . . 0.0 109.298 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.33 -40.05 4.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.301 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.83 HG22 ' HA ' ' A' ' 32' ' ' SER . 43.1 p -136.57 168.71 18.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 110.454 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.821 ' O ' HG23 ' A' ' 74' ' ' VAL . 11.5 t -51.27 -47.91 33.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -50.48 -37.88 33.76 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.539 1.15 . . . . 0.0 111.004 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.456 ' C ' HD22 ' A' ' 67' ' ' LEU . 4.4 t0 -80.05 -35.68 36.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.756 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.937 HG13 HD13 ' A' ' 67' ' ' LEU . 21.0 t -73.52 -15.2 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.362 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 1.073 HG13 ' CD1' ' A' ' 8' ' ' ILE . 95.9 t -96.41 -58.14 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.652 ' HB1' ' HG3' ' A' ' 79' ' ' LYS . . . -46.0 -56.1 5.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.837 ' CD2' HD21 ' A' ' 67' ' ' LEU . 1.6 m-30 -42.42 -27.8 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.841 ' CD1' HD11 ' A' ' 59' ' ' ILE . 4.4 mt -82.83 -76.48 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -49.57 -53.86 21.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.257 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.652 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 2.3 mmmp? . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.544 HG23 ' N ' ' A' ' 5' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.454 -0.202 . . . . 0.0 110.454 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.544 ' N ' HG23 ' A' ' 4' ' ' THR . 2.9 tp-100 -49.76 -70.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.345 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.731 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -49.37 -20.96 0.76 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.083 . . . . 0.0 110.321 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.7 -42.78 57.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.261 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 1.037 HD12 HG13 ' A' ' 74' ' ' VAL . 6.0 mt -93.52 -4.3 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.558 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.9 mt -105.05 -40.73 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.731 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -93.89 -34.35 13.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.95 -40.61 62.74 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.462 1.102 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.463 HD11 HG21 ' A' ' 51' ' ' THR . 1.1 mt -78.67 -53.38 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.451 0.736 . . . . 0.0 109.242 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -42.4 -47.51 4.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -58.67 -47.03 85.88 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.57 1.169 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.448 HG23 ' OE1' ' A' ' 50' ' ' GLN . 30.2 mt -62.96 -41.99 94.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.174 . . . . 0.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.43 ' CG2' ' OG1' ' A' ' 20' ' ' THR . 5.6 mt -53.78 -34.23 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -73.51 0.55 12.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.254 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -106.21 -43.71 4.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.226 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.773 HG12 ' OG ' ' A' ' 43' ' ' SER . 2.6 t -84.39 -66.55 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.67 HG23 HD11 ' A' ' 47' ' ' ILE . 65.8 p -75.39 -26.96 58.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.365 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.09 20.99 74.8 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.516 HG22 ' N ' ' A' ' 23' ' ' GLU . 49.1 mt -80.88 166.95 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.557 0.798 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.516 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -70.6 151.34 95.47 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.254 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -50.1 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.484 1.781 . . . . 0.0 110.961 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.01 -25.48 67.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 110.042 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.416 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 18.2 tt0 -62.22 -43.98 97.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.333 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.448 HD13 ' O ' ' A' ' 23' ' ' GLU . 0.6 OUTLIER -62.24 138.6 22.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.361 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.426 ' C ' ' H ' ' A' ' 30' ' ' GLU . 0.8 OUTLIER -151.15 166.18 15.69 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.394 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.475 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 18.1 Cg_endo -75.06 42.48 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 0.0 110.944 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.426 ' H ' ' C ' ' A' ' 28' ' ' THR . 3.2 mm-40 -137.56 6.59 2.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.349 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.47 ' O ' HG22 ' A' ' 69' ' ' THR . 0.8 OUTLIER -67.42 164.43 18.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.103 . . . . 0.0 109.326 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.693 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -126.03 14.16 7.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.573 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.5 t80 80.39 -37.46 0.15 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.545 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -137.55 -56.11 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.545 ' N ' HG12 ' A' ' 34' ' ' VAL . 11.2 t0 -38.13 -31.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -106.17 -67.63 0.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.414 HD12 ' O ' ' A' ' 33' ' ' PHE . 91.0 mt -42.93 -53.68 4.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.9 OUTLIER 65.24 15.51 10.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.649 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -96.73 -15.78 7.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.569 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 3.4 t70 88.18 -170.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.5 p -90.1 1.01 56.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.028 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.02 -70.25 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.773 ' OG ' HG12 ' A' ' 19' ' ' VAL . 14.6 t -63.0 -46.36 88.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.018 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.33 -32.15 10.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.2 t -63.13 -34.1 64.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.522 ' CB ' HG11 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -73.51 -54.95 7.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.093 . . . . 0.0 110.286 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.67 HD11 HG23 ' A' ' 20' ' ' THR . 3.9 mt -43.93 -37.59 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.26 -47.19 18.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -47.61 -28.02 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 54' ' ' LYS . 39.0 mt-30 -88.09 -59.61 2.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.411 1.069 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.463 HG21 HD11 ' A' ' 12' ' ' ILE . 2.3 m -51.85 -37.77 53.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.403 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.527 ' HA ' HG22 ' A' ' 57' ' ' VAL . 24.1 mt-10 -75.31 -2.69 29.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.632 1.208 . . . . 0.0 110.347 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.48 -62.55 1.57 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' GLN . 6.5 mtpp -42.7 -40.78 2.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 0.0 109.323 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.576 ' HB3' HG13 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -103.68 -38.84 6.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.42 31.26 9.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.576 HG13 ' HB3' ' A' ' 55' ' ' TYR . 30.8 m -75.34 152.46 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 0.771 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.5 108.83 21.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.641 HG22 HD23 ' A' ' 64' ' ' LEU . 4.5 mt -144.3 63.87 11.67 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 59' ' ' ILE . 18.4 Cg_endo -75.0 173.22 14.89 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.49 1.784 . . . . 0.0 111.04 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.421 ' C ' ' N ' ' A' ' 63' ' ' ASP . 0.4 OUTLIER -52.43 -39.59 61.19 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -41.97 -27.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.295 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.702 ' CB ' ' CE2' ' A' ' 76' ' ' TYR . 0.2 OUTLIER -120.57 -45.41 2.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.259 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.641 HD23 HG22 ' A' ' 59' ' ' ILE . 0.8 OUTLIER -46.1 -26.07 0.69 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.276 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.41 -43.64 63.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . -74.77 -47.09 15.53 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.562 1.164 . . . . 0.0 110.964 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.955 ' HB3' HG22 ' A' ' 73' ' ' VAL . 27.2 mt -39.29 128.21 1.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.97 -48.01 2.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 110.23 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.813 ' O ' HG23 ' A' ' 73' ' ' VAL . 73.5 p -125.63 168.88 13.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.409 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.825 ' O ' HG23 ' A' ' 74' ' ' VAL . 14.4 t -51.22 -44.09 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -54.88 -33.58 56.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.803 ' O ' HD22 ' A' ' 67' ' ' LEU . 7.3 t0 -85.31 -28.73 25.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.267 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.955 HG22 ' HB3' ' A' ' 67' ' ' LEU . 14.2 t -82.87 -13.5 12.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.422 1.077 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 1.037 HG13 HD12 ' A' ' 8' ' ' ILE . 90.0 t -97.33 -51.54 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.539 ' HB1' ' HG3' ' A' ' 79' ' ' LYS . . . -44.03 -58.13 2.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.702 ' CE2' ' CB ' ' A' ' 63' ' ' ASP . 7.8 t80 -46.33 -25.04 0.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 111.028 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.681 HD12 HD13 ' A' ' 8' ' ' ILE . 4.8 mt -80.05 -75.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 79' ' ' LYS . 40.2 mt-30 -54.35 -52.32 61.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.539 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 10.4 mmmt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.196 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.426 -0.213 . . . . 0.0 110.426 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.427 ' O ' ' N ' ' A' ' 9' ' ' ILE . 3.0 tp-100 -43.11 -73.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.72 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -48.89 -21.91 0.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.334 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 5' ' ' GLN . 1.6 mm-40 -74.96 -42.2 58.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.52 1.137 . . . . 0.0 110.266 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 1.072 ' CD1' HG13 ' A' ' 74' ' ' VAL . 4.1 mt -93.7 -3.77 10.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 109.339 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.532 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.5 mt -105.94 -40.94 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -93.39 -35.05 13.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.248 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.72 -40.17 65.69 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.47 1.106 . . . . 0.0 110.985 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -78.14 -53.21 14.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.436 0.727 . . . . 0.0 109.36 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.532 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -42.65 -48.29 5.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.55 -45.95 84.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.272 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.3 mt -64.16 -43.56 97.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.39 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.44 HG22 ' HB ' ' A' ' 22' ' ' ILE . 4.8 mt -53.31 -34.87 23.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.409 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 0.8 OUTLIER -73.38 0.33 12.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.597 1.186 . . . . 0.0 110.297 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -106.31 -45.74 4.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.888 HG12 ' OG ' ' A' ' 43' ' ' SER . 2.8 t -82.76 -67.6 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.83 HG23 HD11 ' A' ' 47' ' ' ILE . 36.6 p -73.21 -28.13 62.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 110.395 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.49 22.61 66.95 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.494 HG22 ' N ' ' A' ' 23' ' ' GLU . 44.2 mt -82.7 165.63 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.247 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.494 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -69.55 151.79 96.52 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -49.29 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.428 1.752 . . . . 0.0 110.966 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.13 -23.97 65.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.995 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.424 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 17.3 tt0 -62.5 -43.83 97.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.231 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.45 ' N ' ' CD1' ' A' ' 27' ' ' ILE . 0.7 OUTLIER -62.99 132.58 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.43 ' C ' ' H ' ' A' ' 30' ' ' GLU . 0.8 OUTLIER -147.25 166.23 16.73 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.431 1.082 . . . . 0.0 110.406 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.411 ' HD2' ' HB ' ' A' ' 28' ' ' THR . 18.2 Cg_endo -75.01 42.22 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.536 1.809 . . . . 0.0 111.036 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.43 ' H ' ' C ' ' A' ' 28' ' ' THR . 1.7 mt-10 -137.56 6.66 2.75 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.495 1.122 . . . . 0.0 110.258 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.53 ' O ' HG22 ' A' ' 69' ' ' THR . 0.8 OUTLIER -70.64 164.62 24.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.627 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -124.16 13.99 9.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.99 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.578 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.3 t80 80.72 -37.1 0.13 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.544 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -137.74 -56.09 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.544 ' N ' HG12 ' A' ' 34' ' ' VAL . 3.3 t70 -37.64 -32.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -105.75 -67.56 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.443 HD12 ' O ' ' A' ' 33' ' ' PHE . 70.6 mt -41.32 -53.71 3.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 65.35 14.64 9.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.635 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -95.75 -20.78 5.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.588 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 6.9 t0 89.27 -170.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.8 p -88.48 3.19 51.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 110.083 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.73 -70.77 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.419 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.888 ' OG ' HG12 ' A' ' 19' ' ' VAL . 1.7 t -64.95 -45.8 84.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.55 1.156 . . . . 0.0 110.036 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.418 ' SD ' ' CE1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -50.19 -34.5 22.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.953 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -59.34 -37.01 67.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.47 ' CB ' HG11 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -72.44 -54.19 10.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.145 . . . . 0.0 110.319 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.83 HD11 HG23 ' A' ' 20' ' ' THR . 3.2 mt -44.03 -34.98 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.701 ' HB1' ' OE2' ' A' ' 52' ' ' GLU . . . -81.92 -46.67 13.73 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.44 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -50.31 -24.34 2.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 109.289 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 54' ' ' LYS . 38.6 mt-30 -91.14 -59.99 2.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.4 m -51.93 -37.77 53.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.421 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.816 ' HA ' HG22 ' A' ' 57' ' ' VAL . 14.4 mt-10 -76.25 -2.38 31.11 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.441 1.088 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.53 -62.0 1.66 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' GLN . 1.8 mtpp -41.69 -42.02 2.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.417 1.073 . . . . 0.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -104.89 -50.3 3.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 111.039 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 110.06 18.67 8.6 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.453 1.096 . . . . 0.0 111.03 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.816 HG22 ' HA ' ' A' ' 52' ' ' GLU . 12.9 m -54.06 149.07 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 0.748 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.81 102.74 13.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.602 HD11 ' CG1' ' A' ' 77' ' ' ILE . 49.8 mt -143.81 73.3 16.87 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.05 170.85 19.5 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.464 1.771 . . . . 0.0 110.945 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.411 ' C ' ' N ' ' A' ' 63' ' ' ASP . 0.2 OUTLIER -56.45 -40.15 74.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.69 -24.46 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.68 ' CB ' ' CE2' ' A' ' 76' ' ' TYR . 0.2 OUTLIER -115.7 -39.81 3.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.27 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.518 HD23 HG22 ' A' ' 59' ' ' ILE . 0.7 OUTLIER -53.35 -20.91 4.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.82 -41.76 59.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -76.29 -45.96 13.67 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.43 1.081 . . . . 0.0 110.963 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.869 ' HB3' HG22 ' A' ' 73' ' ' VAL . 19.3 mt -39.57 118.51 0.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 0.751 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.69 -38.97 5.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.841 ' O ' HG23 ' A' ' 73' ' ' VAL . 45.4 p -131.63 169.84 15.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 110.421 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.512 HG12 ' CG2' ' A' ' 74' ' ' VAL . 7.7 t -56.44 -51.16 68.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.262 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -44.55 -32.76 2.97 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.52 1.137 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.463 ' C ' HD22 ' A' ' 67' ' ' LEU . 4.8 t0 -86.52 -34.65 19.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.869 HG22 ' HB3' ' A' ' 67' ' ' LEU . 16.7 t -76.8 -11.29 13.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.385 1.053 . . . . 0.0 109.382 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 1.072 HG13 ' CD1' ' A' ' 8' ' ' ILE . 74.8 t -100.61 -57.64 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.793 ' HB1' ' CD ' ' A' ' 79' ' ' LYS . . . -45.27 -54.61 6.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 109.36 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.68 ' CE2' ' CB ' ' A' ' 63' ' ' ASP . 2.2 t80 -47.83 -24.1 0.91 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.786 HD12 HD13 ' A' ' 8' ' ' ILE . 12.2 mt -84.11 -68.16 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -59.11 -60.18 4.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.793 ' CD ' ' HB1' ' A' ' 75' ' ' ALA . 1.7 mtpt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.0 t . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -58.61 -64.12 1.04 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.571 1.169 . . . . 0.0 110.32 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.783 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -51.99 -18.47 1.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.073 . . . . 0.0 110.333 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.42 -44.1 46.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.887 HG21 HG22 ' A' ' 74' ' ' VAL . 5.8 mt -92.92 -4.23 10.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.551 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.7 mt -105.37 -41.67 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.597 1.186 . . . . 0.0 109.23 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.783 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -92.96 -34.78 13.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.565 1.166 . . . . 0.0 109.36 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.37 -39.54 70.12 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.546 1.154 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.1 mt -79.66 -53.48 13.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 0.764 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.551 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -42.46 -47.0 4.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -59.64 -46.02 90.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.354 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.459 HG22 ' CG1' ' A' ' 47' ' ' ILE . 26.5 mt -63.45 -40.49 89.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.53 ' HA ' HD11 ' A' ' 47' ' ' ILE . 5.0 mt -57.16 -34.7 46.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.499 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 1.3 tm-20 -75.09 -0.3 18.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.259 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -104.58 -45.22 4.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 110.271 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.867 HG12 ' OG ' ' A' ' 43' ' ' SER . 2.5 t -83.51 -68.18 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.827 HG22 ' HB3' ' A' ' 43' ' ' SER . 19.8 p -72.01 -27.36 62.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.557 1.16 . . . . 0.0 110.418 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.57 21.63 68.9 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.549 1.156 . . . . 0.0 111.062 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.53 HG22 ' N ' ' A' ' 23' ' ' GLU . 44.2 mt -81.53 167.2 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.53 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -71.6 151.58 93.69 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.286 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.403 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 18.3 Cg_endo -75.02 -49.33 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.487 1.782 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.52 -23.5 65.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.971 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.447 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 19.8 tt0 -62.76 -43.45 98.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.339 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.589 ' O ' HG23 ' A' ' 28' ' ' THR . 0.7 OUTLIER -62.7 142.21 16.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.26 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.589 HG23 ' O ' ' A' ' 27' ' ' ILE . 0.8 OUTLIER -156.88 166.39 16.73 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 0.0 110.389 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 43.07 0.92 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.473 1.775 . . . . 0.0 111.027 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.419 ' H ' ' C ' ' A' ' 28' ' ' THR . 2.6 mm-40 -137.11 6.19 2.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.224 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.659 ' O ' HG22 ' A' ' 69' ' ' THR . 0.4 OUTLIER -67.81 167.68 12.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.566 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -132.93 20.28 4.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.995 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.675 ' CZ ' HD11 ' A' ' 64' ' ' LEU . 0.5 OUTLIER 80.09 -40.12 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.905 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.49 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.0 OUTLIER -138.23 -54.61 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.49 ' N ' HG12 ' A' ' 34' ' ' VAL . 4.9 t70 -37.96 -31.7 0.05 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER -106.67 -67.63 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.441 HD12 ' SD ' ' A' ' 44' ' ' MET . 81.9 mt -44.04 -52.52 7.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.5 OUTLIER 63.45 14.37 7.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.386 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.596 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.2 OUTLIER -93.99 -20.93 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.596 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 7.9 t0 89.58 -172.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.723 ' O ' HG23 ' A' ' 45' ' ' VAL . 83.1 p -87.8 2.83 50.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.994 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.28 -71.7 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.867 ' OG ' HG12 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -66.46 -40.42 89.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.993 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.619 ' HE1' ' CD2' ' A' ' 33' ' ' PHE . 6.3 mtm -53.13 -34.99 59.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.59 1.181 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 41' ' ' SER . 2.0 t -59.64 -38.17 74.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.586 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -69.87 -54.89 11.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 110.292 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.808 HD11 HG23 ' A' ' 20' ' ' THR . 2.4 mt -47.04 -31.01 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.975 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -84.9 -48.1 9.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.586 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -49.27 -24.24 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 54' ' ' LYS . 35.3 mt-30 -90.1 -60.41 1.94 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.343 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -51.61 -39.19 57.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.412 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.975 ' OE1' ' HB1' ' A' ' 48' ' ' ALA . 4.8 mt-10 -74.45 -2.31 24.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.599 1.187 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 54' ' ' LYS . 0.5 OUTLIER -116.15 -61.19 1.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 50' ' ' GLN . 13.0 mttt -40.11 -41.4 1.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.404 ' HB3' HG13 ' A' ' 57' ' ' VAL . 32.2 t80 -106.67 -47.9 3.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 106.38 26.93 5.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.845 HG22 ' HA ' ' A' ' 52' ' ' GLU . 18.7 m -63.01 149.95 9.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.479 0.753 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.34 113.82 27.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.458 HG23 HD12 ' A' ' 67' ' ' LEU . 27.2 mt -151.2 73.65 8.4 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 170.6 20.06 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.518 1.799 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.78 -40.74 80.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.226 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -50.09 -22.06 1.51 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 110.352 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.562 ' CG ' ' CZ ' ' A' ' 76' ' ' TYR . 0.1 OUTLIER -113.39 -34.07 5.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.675 HD11 ' CZ ' ' A' ' 33' ' ' PHE . 0.8 OUTLIER -58.85 -16.44 17.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.48 -26.44 60.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.253 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.08 -58.7 1.14 Allowed Glycine 0 CA--C 1.528 0.892 0 O-C-N 124.488 1.118 . . . . 0.0 110.973 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.968 HD13 ' HA ' ' A' ' 73' ' ' VAL . 11.0 mt -45.3 118.48 1.73 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.375 0.691 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.72 -56.55 2.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 110.3 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.903 ' O ' HG23 ' A' ' 73' ' ' VAL . 78.3 p -97.56 174.01 6.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.354 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.583 ' O ' HG23 ' A' ' 74' ' ' VAL . 2.5 t -64.33 -36.95 78.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.72 -20.83 68.63 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.84 ' O ' HD22 ' A' ' 67' ' ' LEU . 8.0 t0 -98.78 -30.46 12.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.782 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.968 ' HA ' HD13 ' A' ' 67' ' ' LEU . 34.3 t -84.59 -12.89 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.887 HG22 HG21 ' A' ' 8' ' ' ILE . 45.8 t -98.44 -47.15 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.692 ' HB1' ' HG3' ' A' ' 79' ' ' LYS . . . -44.56 -56.91 3.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 109.273 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.562 ' CZ ' ' CG ' ' A' ' 63' ' ' ASP . 5.6 t80 -49.18 -20.9 0.66 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.418 1.074 . . . . 0.0 110.989 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.514 HD12 HD13 ' A' ' 8' ' ' ILE . 3.2 mt -83.02 -67.22 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 79' ' ' LYS . 52.2 mt-30 -65.99 -51.98 53.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.692 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 18.1 mmtm . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.471 ' N ' ' HB2' ' A' ' 7' ' ' GLU . 5.5 t . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.473 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 2.7 tp-100 -50.79 -68.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.268 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.754 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -49.6 -20.62 0.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.287 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.471 ' HB2' ' N ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -74.77 -45.88 40.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.276 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 1.039 HD12 HG13 ' A' ' 74' ' ' VAL . 5.0 mt -90.71 -2.91 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.575 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.8 mt -106.32 -42.04 6.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.754 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -92.94 -36.86 12.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.69 -42.91 78.21 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -75.6 -53.33 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.575 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -42.24 -47.05 4.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.28 -47.35 81.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.345 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.403 HG23 ' OE1' ' A' ' 50' ' ' GLN . 49.2 mt -64.57 -43.85 96.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 109.242 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.467 ' CG2' ' OG1' ' A' ' 20' ' ' THR . 7.6 mt -53.02 -36.39 24.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.498 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 4.6 tm-20 -72.01 -0.23 11.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -105.85 -45.79 4.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.358 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.829 HG12 ' OG ' ' A' ' 43' ' ' SER . 2.5 t -83.18 -68.59 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.77 HG23 HD11 ' A' ' 47' ' ' ILE . 68.4 p -70.44 -27.95 64.66 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.553 1.158 . . . . 0.0 110.368 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.92 32.82 52.31 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.471 1.107 . . . . 0.0 111.042 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.517 HG22 ' N ' ' A' ' 23' ' ' GLU . 42.1 mt -93.95 166.95 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.513 0.772 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.517 ' N ' HG22 ' A' ' 22' ' ' ILE . 1.7 mt-10 -69.42 153.08 96.15 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -50.06 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.382 1.727 . . . . 0.0 110.963 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.54 -22.27 63.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.985 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.427 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 59.7 tt0 -65.29 -49.58 68.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 110.234 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.447 HD13 ' O ' ' A' ' 23' ' ' GLU . 0.8 OUTLIER -55.38 120.34 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.401 ' O ' HG21 ' A' ' 70' ' ' VAL . 1.3 p -126.55 164.37 34.86 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.46 1.1 . . . . 0.0 110.408 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.459 ' HB3' HD11 ' A' ' 9' ' ' ILE . 18.1 Cg_endo -75.06 0.27 9.14 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.469 1.773 . . . . 0.0 110.959 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.57 3.33 52.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.99 169.82 3.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.781 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -126.42 9.29 7.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.967 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.559 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.0 OUTLIER 79.7 -36.04 0.15 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.556 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -135.94 -57.04 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.556 ' N ' HG12 ' A' ' 34' ' ' VAL . 4.3 t0 -39.63 -30.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.354 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.438 ' N ' ' C ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER -105.43 -68.15 0.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.697 HD13 ' CE ' ' A' ' 44' ' ' MET . 97.7 mt -44.52 -56.33 4.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.8 OUTLIER 70.08 15.07 7.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.787 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -94.59 -18.57 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.333 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.579 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 3.3 t70 88.96 -170.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.524 1.14 . . . . 0.0 109.238 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.702 ' O ' HG23 ' A' ' 45' ' ' VAL . 73.4 m -89.53 3.87 51.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.998 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.54 -65.89 0.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.172 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.829 ' OG ' HG12 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -63.38 -50.75 68.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.769 ' HE1' HG21 ' A' ' 20' ' ' THR . 0.3 OUTLIER -42.53 -42.89 3.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 41' ' ' SER . 2.6 t -52.88 -38.13 27.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.613 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -72.81 -53.05 12.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.77 HD11 HG23 ' A' ' 20' ' ' THR . 2.7 mt -45.92 -32.88 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.402 ' C ' ' N ' ' A' ' 50' ' ' GLN . . . -79.22 -51.36 9.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.613 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -46.98 -25.84 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.076 . . . . 0.0 109.27 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 54' ' ' LYS . 38.9 mt-30 -90.02 -59.65 2.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.557 1.161 . . . . 0.0 110.239 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.9 m -52.05 -37.02 52.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.421 1.076 . . . . 0.0 110.421 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.563 ' HA ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -77.29 0.85 20.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.348 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.45 -63.12 1.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 50' ' ' GLN . 7.4 mttp -49.07 -41.08 34.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.442 ' OH ' ' CG ' ' A' ' 7' ' ' GLU . 0.6 OUTLIER -105.08 -44.02 4.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.932 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.5 26.57 10.73 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.525 1.14 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.563 HG22 ' HA ' ' A' ' 52' ' ' GLU . 7.8 m -55.9 -172.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.467 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 0.5 OUTLIER -135.48 107.74 7.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.777 HD11 HD11 ' A' ' 77' ' ' ILE . 24.0 mt -154.79 83.9 3.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 169.23 23.05 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.542 1.812 . . . . 0.0 110.991 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.67 -40.58 97.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -55.41 -17.77 5.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.354 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.598 ' CG ' ' CE2' ' A' ' 76' ' ' TYR . 0.4 OUTLIER -111.37 -32.74 6.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.701 HD13 ' O ' ' A' ' 64' ' ' LEU . 0.6 OUTLIER -58.64 -17.11 19.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.33 -33.41 55.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -82.0 -44.1 7.83 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.919 ' HB3' HG22 ' A' ' 73' ' ' VAL . 11.5 mt -39.88 111.97 0.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 0.778 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.35 -38.12 5.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.335 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.988 ' O ' HG23 ' A' ' 73' ' ' VAL . 46.8 p -136.34 175.7 9.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.458 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.757 ' O ' HG23 ' A' ' 74' ' ' VAL . 5.3 t -57.75 -47.66 85.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -50.83 -39.13 38.84 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.511 ' C ' HD22 ' A' ' 67' ' ' LEU . 7.9 t0 -80.62 -30.71 36.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 0.782 . . . . 0.0 109.347 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.988 HG23 ' O ' ' A' ' 69' ' ' THR . 44.2 t -78.43 -13.62 13.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 1.039 HG13 HD12 ' A' ' 8' ' ' ILE . 93.5 t -97.03 -56.74 4.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.654 ' HB1' ' HG3' ' A' ' 79' ' ' LYS . . . -46.86 -56.26 6.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.904 ' CD2' HD21 ' A' ' 67' ' ' LEU . 1.9 m-30 -42.29 -28.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 110.951 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.777 HD11 HD11 ' A' ' 59' ' ' ILE . 5.3 mt -81.65 -77.42 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.414 1.071 . . . . 0.0 109.355 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 79' ' ' LYS . 45.9 mt-30 -49.33 -53.22 23.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.654 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.361 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.479 ' N ' ' HB2' ' A' ' 7' ' ' GLU . 1.3 t . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.467 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 2.9 tp-100 -53.21 -67.96 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.242 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.761 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -50.77 -19.83 1.08 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.442 1.089 . . . . 0.0 110.338 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.479 ' HB2' ' N ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -74.79 -44.18 50.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 1.04 ' CD1' HG13 ' A' ' 74' ' ' VAL . 5.4 mt -92.79 -3.69 10.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.482 HD11 ' HB3' ' A' ' 29' ' ' PRO . 2.8 mt -106.03 -42.84 6.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 109.201 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.761 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -91.74 -34.38 14.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.456 1.097 . . . . 0.0 109.342 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -71.09 -42.21 59.17 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 0.0 110.954 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -74.33 -53.26 17.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.506 0.768 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -42.78 -46.2 5.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -56.92 -47.89 79.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.336 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.6 mt -64.45 -42.78 96.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.0 mt -53.09 -35.85 23.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.445 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 2.0 tm-20 -72.55 0.4 10.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.356 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.0 -42.89 4.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.719 HG12 ' OG ' ' A' ' 43' ' ' SER . 2.8 t -84.82 -65.06 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.585 HG23 HD11 ' A' ' 47' ' ' ILE . 68.8 p -76.08 -25.77 55.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.387 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.55 23.4 73.17 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.618 1.198 . . . . 0.0 111.005 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.502 HG22 ' N ' ' A' ' 23' ' ' GLU . 54.8 mt -84.66 165.34 2.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 0.784 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.502 ' N ' HG22 ' A' ' 22' ' ' ILE . 3.5 mt-10 -68.36 152.93 96.25 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.329 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -49.94 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.477 1.777 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.16 -23.88 65.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.037 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.451 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 2.3 tm-20 -60.52 -41.79 95.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.316 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.487 ' N ' ' CD1' ' A' ' 27' ' ' ILE . 0.7 OUTLIER -64.59 135.36 28.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.42 ' C ' ' H ' ' A' ' 30' ' ' GLU . 1.0 OUTLIER -145.07 165.16 23.23 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 110.431 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.482 ' HB3' HD11 ' A' ' 9' ' ' ILE . 18.5 Cg_endo -74.9 43.27 0.94 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.52 1.8 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.42 ' H ' ' C ' ' A' ' 28' ' ' THR . 0.4 OUTLIER -141.11 9.32 2.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 110.322 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.443 ' O ' HG22 ' A' ' 69' ' ' THR . 0.3 OUTLIER -68.83 165.98 18.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.204 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.726 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -129.26 12.2 6.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.101 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.585 ' HA ' HD12 ' A' ' 37' ' ' LEU . 0.7 OUTLIER 78.18 -28.55 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 111.023 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.539 HG12 ' N ' ' A' ' 35' ' ' ASP . 0.9 OUTLIER -141.07 -58.56 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.539 ' N ' HG12 ' A' ' 34' ' ' VAL . 7.7 t70 -39.11 -31.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.442 ' N ' ' C ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -106.65 -65.83 1.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 33' ' ' PHE . 81.3 mt -44.98 -52.5 8.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 34' ' ' VAL . 3.7 t0 64.03 16.41 9.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.687 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -99.21 -17.03 6.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.555 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 5.6 t70 87.14 -170.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.155 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.759 ' O ' HG23 ' A' ' 45' ' ' VAL . 19.7 p -88.53 5.08 44.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 110.033 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.53 -68.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.25 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.719 ' OG ' HG12 ' A' ' 19' ' ' VAL . 23.1 t -64.67 -46.94 80.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.004 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.54 ' SD ' ' CE1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -46.7 -36.87 7.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 41' ' ' SER . 2.6 t -60.8 -33.89 57.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.607 ' CB ' HG11 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -73.04 -54.03 9.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.585 HD11 HG23 ' A' ' 20' ' ' THR . 3.8 mt -44.11 -40.71 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.855 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -72.67 -50.49 24.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 109.237 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.594 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -47.13 -26.07 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 54' ' ' LYS . 35.7 mt-30 -89.06 -59.86 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.9 m -51.65 -38.55 55.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 110.373 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.855 ' OE1' ' HB1' ' A' ' 48' ' ' ALA . 1.0 OUTLIER -74.99 -1.4 22.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.376 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.85 -63.25 1.45 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 0.0 109.334 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 50' ' ' GLN . 24.7 mttt -46.28 -42.14 14.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -103.89 -49.2 3.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.52 19.08 11.67 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.526 1.141 . . . . 0.0 111.036 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.446 ' CG2' ' HG3' ' A' ' 52' ' ' GLU . 2.7 m -57.45 156.32 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.76 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.99 101.12 12.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.577 ' O ' HG22 ' A' ' 59' ' ' ILE . 43.0 mt -149.92 70.02 9.31 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 169.07 23.44 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.483 1.781 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.53 -40.81 65.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -52.88 -19.9 2.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.604 ' CG ' ' CD2' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -113.19 -33.94 5.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.273 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.533 HD13 ' O ' ' A' ' 64' ' ' LEU . 0.7 OUTLIER -60.74 -15.36 28.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.36 -38.68 34.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.125 . . . . 0.0 109.248 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -79.17 -43.92 10.24 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.525 1.141 . . . . 0.0 111.047 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.924 ' HB3' HG22 ' A' ' 73' ' ' VAL . 13.2 mt -39.8 109.76 0.12 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 0.754 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.36 -38.45 6.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 110.261 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.987 ' O ' HG23 ' A' ' 73' ' ' VAL . 46.7 p -135.94 173.72 11.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 110.408 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.642 ' O ' HG23 ' A' ' 74' ' ' VAL . 6.7 t -56.47 -49.32 77.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -49.36 -37.5 25.19 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.583 ' O ' HD22 ' A' ' 67' ' ' LEU . 1.9 t70 -81.83 -26.78 34.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 0.729 . . . . 0.0 109.231 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.987 HG23 ' O ' ' A' ' 69' ' ' THR . 29.8 t -82.99 -13.55 12.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.372 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 1.04 HG13 ' CD1' ' A' ' 8' ' ' ILE . 92.3 t -96.87 -52.9 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.25 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.851 ' HB1' ' HG3' ' A' ' 79' ' ' LYS . . . -52.03 -55.5 20.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.907 ' CD2' HD21 ' A' ' 67' ' ' LEU . 1.8 m-85 -42.07 -23.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 111.008 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.61 HD12 HD13 ' A' ' 8' ' ' ILE . 4.4 mt -82.59 -70.97 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.414 ' HB2' ' HZ3' ' A' ' 79' ' ' LYS . 36.0 mt-30 -61.41 -52.17 65.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.851 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 4.0 mmtm . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.459 HG23 ' N ' ' A' ' 5' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.421 -0.214 . . . . 0.0 110.421 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.467 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 2.7 tp-100 -48.66 -70.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.363 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.744 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -49.06 -20.58 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.414 ' N ' ' C ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -74.62 -43.43 55.47 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 110.251 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 1.06 HD12 HG13 ' A' ' 74' ' ' VAL . 4.1 mt -93.47 -3.33 10.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.622 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.9 mt -106.13 -40.53 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.744 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -94.03 -36.94 11.89 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.96 -39.98 84.67 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.561 1.163 . . . . 0.0 110.956 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.466 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.1 mt -79.15 -53.07 14.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.481 0.753 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.622 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -40.39 -48.64 2.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -60.58 -42.78 97.41 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.473 1.108 . . . . 0.0 110.267 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.529 HG23 ' OE1' ' A' ' 50' ' ' GLN . 66.4 mt -65.3 -46.57 90.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.638 HD12 ' CG1' ' A' ' 27' ' ' ILE . 31.6 mt -53.6 -29.97 17.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 22' ' ' ILE . 0.5 OUTLIER -80.04 5.49 14.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -111.59 -45.24 3.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.813 HG12 ' OG ' ' A' ' 43' ' ' SER . 4.3 t -78.15 -59.7 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.254 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.592 HG22 ' OG ' ' A' ' 43' ' ' SER . 29.3 p -85.08 -30.76 23.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 110.403 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.92 30.38 35.41 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.551 1.157 . . . . 0.0 111.055 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.498 ' O ' ' CG ' ' A' ' 17' ' ' GLU . 30.8 mt -90.03 165.83 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.766 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.488 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.5 OUTLIER -66.1 148.44 98.4 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.395 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.483 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 18.1 Cg_endo -75.09 -51.74 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.449 1.762 . . . . 0.0 110.9 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.58 -24.86 66.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.044 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -62.94 -43.87 97.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.345 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.638 ' CG1' HD12 ' A' ' 16' ' ' ILE . 0.8 OUTLIER -60.15 131.44 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.416 ' C ' ' H ' ' A' ' 30' ' ' GLU . 1.0 OUTLIER -147.58 164.99 20.01 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.392 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 43.67 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.54 1.81 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.416 ' H ' ' C ' ' A' ' 28' ' ' THR . 3.1 mm-40 -133.98 -24.78 1.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.333 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.476 ' O ' HG22 ' A' ' 69' ' ' THR . 1.3 mttt -44.23 166.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.693 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -123.06 13.01 9.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.112 . . . . 0.0 109.982 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.545 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.1 t80 79.42 -30.39 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 111.043 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.565 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -139.79 -58.2 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.565 ' N ' HG12 ' A' ' 34' ' ' VAL . 8.5 t70 -37.94 -33.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -103.12 -67.69 0.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.337 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.494 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 60.5 mt -41.96 -53.5 3.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.5 OUTLIER 66.21 14.92 9.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.701 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -96.64 -17.43 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.579 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 9.7 t0 89.29 -171.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.642 ' O ' HG23 ' A' ' 45' ' ' VAL . 17.0 p -87.35 -5.01 59.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 110.002 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -64.91 0.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.813 ' OG ' HG12 ' A' ' 19' ' ' VAL . 7.3 t -68.01 -49.88 58.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.164 . . . . 0.0 110.067 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.494 ' SD ' ' CD1' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -48.55 -30.32 5.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 41' ' ' SER . 1.4 t -64.42 -35.45 74.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.629 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.4 OUTLIER -70.73 -56.01 7.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.285 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.491 HD11 ' HA ' ' A' ' 16' ' ' ILE . 1.3 mt -41.82 -43.88 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.995 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -69.66 -47.86 61.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.629 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -48.23 -24.57 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.529 ' OE1' HG23 ' A' ' 15' ' ' ILE . 37.2 mt-30 -90.58 -60.64 1.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.3 m -51.78 -37.41 51.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.077 . . . . 0.0 110.436 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.995 ' OE1' ' HB1' ' A' ' 48' ' ' ALA . 9.5 mt-10 -76.16 -2.22 30.03 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.407 1.067 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.57 -60.52 1.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 50' ' ' GLN . 4.0 mtpt -40.97 -41.44 1.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -107.73 -49.45 3.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.949 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 109.94 21.21 7.18 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.742 HG22 ' HA ' ' A' ' 52' ' ' GLU . 19.5 m -57.14 149.21 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.295 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.53 103.45 15.39 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.899 HD11 HG12 ' A' ' 77' ' ' ILE . 28.6 mt -148.1 73.64 11.07 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 0.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 169.32 22.87 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.478 1.778 . . . . 0.0 110.942 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.41 -40.76 75.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.359 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -50.14 -21.8 1.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.559 ' OD1' ' CD2' ' A' ' 76' ' ' TYR . 0.3 OUTLIER -113.82 -34.85 5.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.333 179.896 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.681 HD13 ' O ' ' A' ' 64' ' ' LEU . 0.8 OUTLIER -56.07 -18.89 10.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.29 -38.62 68.73 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.556 1.16 . . . . 0.0 109.335 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -75.09 -50.72 8.23 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.934 ' HB3' HG22 ' A' ' 73' ' ' VAL . 41.5 mt -39.44 119.73 0.98 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 0.776 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.92 -38.99 4.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.384 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.693 HG22 ' HA ' ' A' ' 32' ' ' SER . 70.8 p -133.45 160.73 36.55 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.504 1.128 . . . . 0.0 110.341 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.449 ' O ' HG23 ' A' ' 74' ' ' VAL . 21.7 t -45.74 -52.78 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -46.45 -33.98 6.26 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.431 1.082 . . . . 0.0 111.058 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.59 ' C ' HD22 ' A' ' 67' ' ' LEU . 9.1 t0 -84.01 -35.01 24.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 0.76 . . . . 0.0 109.356 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.934 HG22 ' HB3' ' A' ' 67' ' ' LEU . 24.0 t -72.74 -16.08 17.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 1.06 HG13 HD12 ' A' ' 8' ' ' ILE . 69.8 t -94.32 -57.74 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.376 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.718 ' HB1' ' HG3' ' A' ' 79' ' ' LYS . . . -46.01 -55.32 7.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.903 ' CG ' HD21 ' A' ' 67' ' ' LEU . 1.5 m-85 -43.85 -23.61 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 0.0 111.023 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.899 HG12 HD11 ' A' ' 59' ' ' ILE . 8.6 mt -83.61 -70.65 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.358 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.437 ' HB2' ' NZ ' ' A' ' 79' ' ' LYS . 66.2 mt-30 -59.67 -52.84 63.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.718 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 1.2 mmtm . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.583 1.177 . . . . 0.0 109.279 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.473 HG23 ' N ' ' A' ' 5' ' ' GLN . 1.5 t . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.473 ' N ' HG23 ' A' ' 4' ' ' THR . 2.7 tp-100 -63.58 -61.68 2.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.792 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -53.01 -17.46 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.36 -45.37 32.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 1.083 ' CD1' HG13 ' A' ' 74' ' ' VAL . 8.2 mt -91.94 -3.56 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.246 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.5 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.9 mt -105.89 -42.28 6.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.792 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -92.45 -34.68 14.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.97 -40.34 62.76 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.442 1.089 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -76.9 -53.17 15.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.51 0.771 . . . . 0.0 109.275 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -41.44 -47.52 3.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -57.75 -48.11 80.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.331 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.1 mt -62.62 -41.31 91.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.633 HG23 ' OG1' ' A' ' 20' ' ' THR . 5.2 mt -53.8 -31.1 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -77.55 2.24 17.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 110.235 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -107.19 -59.11 1.86 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 110.347 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.885 HG12 ' OG ' ' A' ' 43' ' ' SER . 19.4 t -79.26 -64.87 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.75 HG22 HG13 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -63.63 -37.8 88.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.388 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 16' ' ' ILE . . . 81.96 21.07 61.89 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.526 1.141 . . . . 0.0 111.038 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.736 HD12 ' HB ' ' A' ' 20' ' ' THR . 12.1 mt -89.64 166.43 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.598 0.823 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.509 ' N ' HG22 ' A' ' 22' ' ' ILE . 1.0 OUTLIER -71.0 151.84 94.98 Favored Pre-proline 0 C--N 1.326 -0.415 0 O-C-N 124.483 1.114 . . . . 0.0 110.319 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -49.35 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.471 1.774 . . . . 0.0 110.959 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.44 -26.19 65.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 110.036 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.435 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -62.84 -44.46 96.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.098 . . . . 0.0 110.334 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.87 ' O ' HG23 ' A' ' 28' ' ' THR . 0.6 OUTLIER -56.72 156.03 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.87 HG23 ' O ' ' A' ' 27' ' ' ILE . 0.6 OUTLIER -166.76 167.09 8.27 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.363 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.455 ' HA ' ' HB ' ' A' ' 70' ' ' VAL . 18.2 Cg_endo -75.01 2.0 7.12 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.521 1.801 . . . . 0.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.03 -5.15 55.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -68.09 162.94 23.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.778 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -118.96 14.25 13.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.163 . . . . 0.0 109.977 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.603 ' CE2' ' SD ' ' A' ' 44' ' ' MET . 1.0 OUTLIER 79.78 -33.77 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.998 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.565 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -136.22 -57.7 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.565 ' N ' HG12 ' A' ' 34' ' ' VAL . 13.8 t0 -37.12 -35.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -101.55 -67.61 0.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.367 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.592 HD12 ' O ' ' A' ' 33' ' ' PHE . 50.0 mt -38.96 -51.26 1.79 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 109.393 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER 65.37 12.67 8.28 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.75 HG13 HG22 ' A' ' 20' ' ' THR . 0.2 OUTLIER -90.87 -19.26 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.525 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 1.1 t70 83.99 -163.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.707 ' O ' HG23 ' A' ' 45' ' ' VAL . 46.7 p -91.2 5.76 47.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.977 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.01 -72.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 109.392 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.885 ' OG ' HG12 ' A' ' 19' ' ' VAL . 12.6 t -63.64 -44.62 93.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.981 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.603 ' SD ' ' CE2' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -47.82 -38.95 17.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.924 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 41' ' ' SER . 2.7 t -60.9 -30.74 48.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.575 1.172 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.768 ' CB ' HG11 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -76.84 -51.37 11.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.365 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.564 HD11 ' OG1' ' A' ' 20' ' ' THR . 2.9 mt -55.52 -24.27 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.627 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -87.58 -44.73 11.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.615 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -49.18 -26.32 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 54' ' ' LYS . 57.2 mt-30 -89.68 -60.35 1.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -52.19 -36.86 53.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.364 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.627 ' OE1' ' HB1' ' A' ' 48' ' ' ALA . 11.9 mt-10 -76.66 -1.57 28.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.401 1.063 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.42 -59.75 1.9 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 50' ' ' GLN . 11.6 mtpp -41.35 -40.66 1.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.524 ' CD1' ' CG1' ' A' ' 57' ' ' VAL . 33.5 t80 -110.38 -53.72 2.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.093 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 112.3 38.78 1.31 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.615 HG22 ' HA ' ' A' ' 52' ' ' GLU . 17.6 m -76.01 149.21 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 0.767 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.61 112.04 24.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.705 ' O ' HG22 ' A' ' 59' ' ' ILE . 59.8 mt -145.03 67.61 13.51 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 109.203 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 171.47 18.27 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.436 1.756 . . . . 0.0 110.969 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.28 -40.86 62.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -50.08 -21.98 1.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.503 ' CG ' ' CD2' ' A' ' 76' ' ' TYR . 0.6 OUTLIER -114.62 -36.46 4.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.685 HD13 ' O ' ' A' ' 64' ' ' LEU . 0.5 OUTLIER -59.35 -16.55 23.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.367 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.79 -39.97 42.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.93 -43.4 9.94 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.55 1.156 . . . . 0.0 110.963 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.902 HD21 ' CD2' ' A' ' 76' ' ' TYR . 24.5 mt -44.54 118.29 1.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 0.744 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.33 -39.02 4.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.332 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.861 ' O ' HG23 ' A' ' 73' ' ' VAL . 20.4 p -135.9 177.36 7.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.593 1.183 . . . . 0.0 110.415 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.543 HG12 ' CG2' ' A' ' 74' ' ' VAL . 4.1 t -57.15 -55.97 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.236 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -44.17 -29.13 1.52 Allowed Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.584 1.178 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.627 ' C ' HD22 ' A' ' 67' ' ' LEU . 9.5 t0 -88.82 -40.35 13.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 0.738 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.889 HG22 ' HB3' ' A' ' 67' ' ' LEU . 21.9 t -72.59 -14.53 17.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.399 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 1.083 HG13 ' CD1' ' A' ' 8' ' ' ILE . 77.3 t -96.48 -57.11 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.428 ' C ' ' N ' ' A' ' 77' ' ' ILE . . . -48.43 -55.1 11.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.357 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.902 ' CD2' HD21 ' A' ' 67' ' ' LEU . 1.7 m-85 -42.82 -24.95 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.793 HD12 HD13 ' A' ' 8' ' ' ILE . 6.6 mt -81.38 -55.67 7.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.601 1.188 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -66.68 -50.63 62.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 110.352 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.416 1.073 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.71 HG22 ' OE1' ' A' ' 7' ' ' GLU . 1.1 t . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.457 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 2.7 tp-100 -53.77 -67.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.762 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -51.1 -19.71 1.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.419 1.075 . . . . 0.0 110.315 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.71 ' OE1' HG22 ' A' ' 4' ' ' THR . 0.0 OUTLIER -75.17 -42.82 55.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 1.044 ' CD1' HG13 ' A' ' 74' ' ' VAL . 4.8 mt -94.08 -3.92 10.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.582 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.9 mt -106.21 -42.18 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.762 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -93.0 -36.42 12.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.79 -43.03 76.95 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.54 1.15 . . . . 0.0 111.029 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -75.71 -53.25 16.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.485 0.756 . . . . 0.0 109.221 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.582 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -41.7 -46.44 3.76 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -58.16 -46.56 85.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.439 ' CG2' ' HA ' ' A' ' 47' ' ' ILE . 34.0 mt -64.75 -45.07 96.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.514 HG22 ' HB ' ' A' ' 22' ' ' ILE . 17.5 mt -53.19 -32.35 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 109.247 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.515 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 2.2 tm-20 -78.18 4.99 11.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.573 1.171 . . . . 0.0 110.359 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 15' ' ' ILE . 0.9 OUTLIER -112.25 -43.92 3.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.308 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.816 HG12 ' OG ' ' A' ' 43' ' ' SER . 3.0 t -82.03 -56.76 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.607 HG23 HD11 ' A' ' 47' ' ' ILE . 18.0 p -88.34 -23.45 23.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.425 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.4 20.29 77.16 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.516 HG22 ' N ' ' A' ' 23' ' ' GLU . 64.5 mt -75.86 166.52 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.413 0.714 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.516 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -70.82 150.31 95.18 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.333 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -49.23 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.5 -20.64 63.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.015 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.437 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 2.2 tt0 -65.67 -51.58 58.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.262 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.509 HG12 HD12 ' A' ' 16' ' ' ILE . 0.8 OUTLIER -53.95 128.5 13.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 109.37 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.437 ' C ' ' H ' ' A' ' 30' ' ' GLU . 1.0 OUTLIER -140.67 165.32 30.61 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 0.0 110.465 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.453 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 18.2 Cg_endo -75.03 42.24 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.479 1.778 . . . . 0.0 110.964 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.437 ' H ' ' C ' ' A' ' 28' ' ' THR . 1.9 mm-40 -136.66 5.31 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.416 ' HB2' HG23 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -67.06 167.15 12.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.242 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.952 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -128.49 14.37 6.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.983 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.741 ' CD1' ' HE2' ' A' ' 44' ' ' MET . 1.3 t80 81.18 -38.38 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 111.076 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.532 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -137.65 -55.37 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.532 ' N ' HG12 ' A' ' 34' ' ' VAL . 8.7 t70 -38.23 -31.4 0.05 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -106.95 -68.05 0.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.515 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 58.5 mt -41.8 -55.83 2.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.81 12.18 8.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.35 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.67 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -94.06 -17.88 7.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.533 1.145 . . . . 0.0 109.268 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.583 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 11.4 t0 89.53 -172.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.651 ' O ' HG23 ' A' ' 45' ' ' VAL . 90.0 p -89.48 -3.07 58.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.978 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.73 -63.51 1.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.816 ' OG ' HG12 ' A' ' 19' ' ' VAL . 8.2 t -65.85 -55.34 17.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 109.952 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.741 ' HE2' ' CD1' ' A' ' 33' ' ' PHE . 11.4 mmm -43.97 -38.03 3.26 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.475 1.109 . . . . 0.0 110.993 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 41' ' ' SER . 1.4 t -54.63 -37.85 40.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.463 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -72.15 -52.96 14.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.078 . . . . 0.0 110.313 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.607 HD11 HG23 ' A' ' 20' ' ' THR . 1.6 mt -40.35 -43.55 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.635 ' HB1' ' OE2' ' A' ' 52' ' ' GLU . . . -74.92 -51.13 14.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.463 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -45.93 -26.34 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 109.285 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' A' ' 54' ' ' LYS . 35.9 mt-30 -88.05 -60.82 1.86 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.541 ' O ' HG23 ' A' ' 57' ' ' VAL . 1.0 OUTLIER -51.96 -38.72 57.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 0.0 110.43 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.635 ' OE2' ' HB1' ' A' ' 48' ' ' ALA . 0.8 OUTLIER -73.81 -1.7 20.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.72 -64.96 1.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.165 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 50' ' ' GLN . 13.8 mttt -45.48 -40.75 8.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.241 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.63 -43.47 5.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 111.025 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.7 36.28 5.11 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.426 1.079 . . . . 0.0 111.015 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.729 HG12 ' H ' ' A' ' 58' ' ' LYS . 2.1 t -65.05 -176.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.583 0.814 . . . . 0.0 109.356 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.729 ' H ' HG12 ' A' ' 57' ' ' VAL . 0.6 OUTLIER -130.29 100.01 5.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.77 HD11 HG12 ' A' ' 77' ' ' ILE . 24.1 mt -153.49 76.89 6.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 170.47 20.34 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.504 1.792 . . . . 0.0 110.981 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.01 -40.51 89.52 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 0.0 109.211 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -50.76 -21.41 1.63 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.149 . . . . 0.0 110.316 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.599 ' CG ' ' CE2' ' A' ' 76' ' ' TYR . 0.7 OUTLIER -113.06 -34.15 5.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.612 HD13 ' O ' ' A' ' 64' ' ' LEU . 1.1 tm? -56.57 -18.26 11.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.36 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.92 -41.39 59.76 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.16 -45.92 37.75 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 110.948 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.949 HD21 ' CD2' ' A' ' 76' ' ' TYR . 21.1 mt -40.82 124.52 2.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 0.765 . . . . 0.0 109.291 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.14 -40.88 3.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.41 1.069 . . . . 0.0 110.291 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.952 HG22 ' HA ' ' A' ' 32' ' ' SER . 37.9 p -136.9 168.36 19.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.389 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.851 ' O ' HG23 ' A' ' 74' ' ' VAL . 12.9 t -48.89 -45.86 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.16 . . . . 0.0 109.352 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -53.57 -36.74 54.84 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.443 1.089 . . . . 0.0 110.959 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.63 ' O ' HD22 ' A' ' 67' ' ' LEU . 4.2 t0 -82.61 -33.6 27.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.39 0.7 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.906 HG22 ' HB3' ' A' ' 67' ' ' LEU . 21.8 t -75.57 -14.31 15.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 1.044 HG13 ' CD1' ' A' ' 8' ' ' ILE . 94.5 t -95.2 -56.46 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.15 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.83 ' HB1' ' HG3' ' A' ' 79' ' ' LYS . . . -45.29 -56.79 4.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.113 . . . . 0.0 109.348 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.949 ' CD2' HD21 ' A' ' 67' ' ' LEU . 1.4 m-30 -43.11 -25.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 111.045 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.77 HG12 HD11 ' A' ' 59' ' ' ILE . 5.4 mt -79.91 -77.12 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 79' ' ' LYS . 40.4 mt-30 -54.87 -50.96 67.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.83 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.522 HG23 ' N ' ' A' ' 5' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.522 ' N ' HG23 ' A' ' 4' ' ' THR . 2.7 tp-100 -49.23 -70.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.308 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.746 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -49.48 -20.43 0.72 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 0.0 110.33 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 5' ' ' GLN . 0.1 OUTLIER -74.65 -42.28 58.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.328 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 1.081 ' CD1' HG13 ' A' ' 74' ' ' VAL . 4.4 mt -95.0 -3.23 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.563 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.9 mt -106.69 -41.08 5.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.746 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -95.18 -35.86 11.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.589 1.181 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.7 -39.41 77.41 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.488 1.117 . . . . 0.0 111.038 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.405 ' HB ' ' O ' ' A' ' 8' ' ' ILE . 0.7 OUTLIER -79.94 -53.3 13.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.435 0.727 . . . . 0.0 109.279 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.563 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -42.85 -50.0 5.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.51 -45.06 85.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.474 HG22 ' CG1' ' A' ' 47' ' ' ILE . 91.3 mt -63.98 -45.22 97.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.541 ' HA ' HD11 ' A' ' 47' ' ' ILE . 6.7 mt -53.72 -33.78 23.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.52 0.71 13.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.348 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -106.42 -44.15 4.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.155 . . . . 0.0 110.267 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.801 HG12 ' OG ' ' A' ' 43' ' ' SER . 3.1 t -83.27 -67.41 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.418 HG22 ' CB ' ' A' ' 43' ' ' SER . 67.7 p -75.51 -20.84 58.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.429 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 70.79 22.33 78.17 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.514 HG22 ' N ' ' A' ' 23' ' ' GLU . 61.7 mt -80.53 166.48 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.758 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.514 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -69.38 151.17 96.94 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.282 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.415 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 18.2 Cg_endo -74.99 -49.61 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.556 1.819 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.54 -25.81 66.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 109.986 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.442 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 4.1 tt0 -62.14 -45.15 94.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.32 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.572 ' O ' HG23 ' A' ' 28' ' ' THR . 0.7 OUTLIER -61.72 142.81 15.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.35 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 27' ' ' ILE . 0.1 OUTLIER -159.85 170.17 9.14 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.369 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.414 ' HA ' ' HB ' ' A' ' 70' ' ' VAL . 18.2 Cg_endo -75.0 42.62 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.477 1.777 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.436 ' H ' ' C ' ' A' ' 28' ' ' THR . 2.9 mm-40 -129.36 -25.34 2.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.281 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.485 ' O ' HG22 ' A' ' 69' ' ' THR . 2.4 mttt -43.34 159.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.569 1.168 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.718 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -121.69 14.46 10.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.94 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.597 ' CE1' ' SD ' ' A' ' 44' ' ' MET . 1.0 OUTLIER 80.01 -30.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.558 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -143.18 -57.17 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.574 1.171 . . . . 0.0 109.256 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.558 ' N ' HG12 ' A' ' 34' ' ' VAL . 3.3 t70 -37.78 -32.4 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 109.227 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -106.4 -67.73 0.92 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' A' ' 33' ' ' PHE . 80.3 mt -43.51 -51.16 6.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 34' ' ' VAL . 1.2 t0 61.67 16.47 7.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.637 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -98.33 -15.28 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.54 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 15.0 t0 85.76 -170.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.605 ' O ' HG23 ' A' ' 45' ' ' VAL . 54.8 p -88.68 1.78 54.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.046 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.08 -65.49 0.69 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.801 ' OG ' HG12 ' A' ' 19' ' ' VAL . 11.6 t -68.1 -48.73 64.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.96 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.597 ' SD ' ' CE1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -49.44 -28.75 5.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 111.008 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 41' ' ' SER . 1.3 t -66.76 -35.01 73.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.6 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -69.4 -55.9 8.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.138 . . . . 0.0 110.343 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.541 HD11 ' HA ' ' A' ' 16' ' ' ILE . 1.5 mt -43.4 -45.45 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.03 -50.18 62.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.6 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -48.19 -25.39 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 54' ' ' LYS . 34.1 mt-30 -89.55 -60.21 2.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.416 1.072 . . . . 0.0 110.271 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.465 HG22 HG21 ' A' ' 57' ' ' VAL . 3.0 m -51.66 -38.22 53.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.458 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.7 ' HA ' HG22 ' A' ' 57' ' ' VAL . 15.2 mt-10 -75.34 -1.87 25.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 0.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.17 -61.03 1.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' GLN . 2.7 mtpt -41.72 -42.27 2.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.412 1.07 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -108.66 -53.78 2.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 114.75 27.98 3.09 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.432 1.083 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.7 HG22 ' HA ' ' A' ' 52' ' ' GLU . 19.5 m -61.23 148.69 9.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.439 0.729 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.8 105.26 16.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.589 HD11 HD11 ' A' ' 77' ' ' ILE . 10.1 mt -148.12 75.68 10.6 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 169.7 22.04 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.49 1.784 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.85 -40.54 80.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.34 -25.33 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.376 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.712 ' CB ' ' CE2' ' A' ' 76' ' ' TYR . 0.1 OUTLIER -112.95 -39.67 4.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.521 HD11 ' CZ ' ' A' ' 33' ' ' PHE . 0.7 OUTLIER -50.58 -22.9 2.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.04 -42.14 69.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 109.362 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -74.69 -46.76 17.2 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.487 1.117 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.924 ' HB3' HG22 ' A' ' 73' ' ' VAL . 8.6 mt -39.41 125.34 1.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 109.328 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.82 -41.52 3.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 110.352 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.735 ' O ' HG23 ' A' ' 73' ' ' VAL . 70.6 p -131.69 165.57 23.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.38 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.94 ' O ' HG23 ' A' ' 74' ' ' VAL . 11.6 t -51.6 -44.83 35.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -51.84 -33.81 36.21 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.553 1.158 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -84.8 -33.05 23.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 0.743 . . . . 0.0 109.324 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.924 HG22 ' HB3' ' A' ' 67' ' ' LEU . 13.8 t -78.0 -11.66 13.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.559 1.162 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 1.081 HG13 ' CD1' ' A' ' 8' ' ' ILE . 64.0 t -96.75 -56.62 5.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.524 ' HB1' ' HG3' ' A' ' 79' ' ' LYS . . . -44.81 -57.22 3.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.712 ' CE2' ' CB ' ' A' ' 63' ' ' ASP . 2.2 t80 -43.3 -27.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 111.059 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.63 HD12 HD13 ' A' ' 8' ' ' ILE . 4.7 mt -81.55 -76.52 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 79' ' ' LYS . 46.3 mt-30 -49.88 -53.06 28.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.549 1.155 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.524 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 12.6 mmmm . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.471 ' N ' ' HB2' ' A' ' 7' ' ' GLU . 8.1 t . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.473 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 2.7 tp-100 -54.66 -66.92 0.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 110.306 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.749 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -51.38 -19.96 1.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.471 ' HB2' ' N ' ' A' ' 4' ' ' THR . 0.8 OUTLIER -74.25 -42.63 59.36 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.501 1.126 . . . . 0.0 110.355 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 1.029 ' CD1' HG13 ' A' ' 74' ' ' VAL . 6.0 mt -94.66 -4.81 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.56 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 3.0 mt -104.61 -40.48 6.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.749 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -94.33 -33.86 13.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -71.31 -40.24 60.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.3 mt -79.43 -54.41 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 0.775 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.56 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -40.68 -49.79 3.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.302 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -59.16 -41.98 89.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.355 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.511 ' CG2' ' HA ' ' A' ' 47' ' ' ILE . 40.1 mt -66.48 -46.33 86.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.749 HD12 HG12 ' A' ' 27' ' ' ILE . 36.6 mt -53.42 -32.25 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.511 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 1.3 tm-20 -79.06 3.55 17.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -109.89 -45.82 3.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 110.348 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.859 HG12 ' OG ' ' A' ' 43' ' ' SER . 2.4 t -79.46 -66.24 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.772 HG22 ' HB3' ' A' ' 43' ' ' SER . 18.1 p -76.53 -29.96 56.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.407 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.2 22.92 56.23 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.523 HG22 ' N ' ' A' ' 23' ' ' GLU . 47.9 mt -82.3 166.74 2.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.533 0.784 . . . . 0.0 109.241 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.523 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -69.53 152.45 96.32 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.456 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 18.1 Cg_endo -75.02 -54.85 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.537 1.809 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.93 -23.14 66.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 109.999 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.427 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 17.4 tt0 -61.56 -42.85 99.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.799 ' O ' HG23 ' A' ' 28' ' ' THR . 0.7 OUTLIER -62.16 146.9 11.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.799 HG23 ' O ' ' A' ' 27' ' ' ILE . 0.7 OUTLIER -163.69 166.62 12.25 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.376 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.407 ' HD2' ' HB ' ' A' ' 28' ' ' THR . 18.3 Cg_endo -74.92 48.51 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.452 1.764 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -137.76 -27.87 0.91 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.428 ' O ' ' HB ' ' A' ' 69' ' ' THR . 3.2 mttt -42.95 157.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.707 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -116.71 15.0 15.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.969 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.558 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.2 t80 79.98 -30.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 111.019 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.566 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -142.49 -57.21 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 109.351 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.566 ' N ' HG12 ' A' ' 34' ' ' VAL . 16.2 t0 -37.18 -33.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -105.4 -67.44 0.92 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.358 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.419 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 73.3 mt -39.84 -52.03 2.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER 63.59 13.53 7.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.907 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.626 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -94.05 -20.09 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.594 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 8.9 t0 89.51 -171.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.619 ' O ' HG23 ' A' ' 45' ' ' VAL . 35.6 t -87.23 1.57 52.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.017 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -69.45 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.357 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.859 ' OG ' HG12 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -67.24 -43.11 82.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.033 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.419 ' SD ' ' CD1' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -52.65 -31.48 37.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.996 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 41' ' ' SER . 1.4 t -63.29 -36.18 75.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.353 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.539 ' HB2' HG11 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -71.69 -56.46 5.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 110.27 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.619 HD11 HG23 ' A' ' 20' ' ' THR . 2.5 mt -39.36 -41.43 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.33 -45.3 26.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -48.82 -26.52 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.12 . . . . 0.0 109.373 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' A' ' 54' ' ' LYS . 33.9 mt-30 -87.49 -60.29 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.332 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.591 HG22 HG21 ' A' ' 57' ' ' VAL . 1.1 m -51.49 -39.07 56.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.64 ' HA ' HG22 ' A' ' 57' ' ' VAL . 20.3 mt-10 -74.12 -1.97 22.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.331 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.26 -62.12 1.62 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.441 1.088 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 50' ' ' GLN . 11.5 mtpp -40.96 -40.8 1.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.348 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.477 ' CD1' HG13 ' A' ' 57' ' ' VAL . 33.0 t80 -108.34 -46.77 3.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 110.921 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 109.48 10.18 23.98 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.518 1.137 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.64 HG22 ' HA ' ' A' ' 52' ' ' GLU . 33.2 m -47.59 154.85 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.385 0.697 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.48 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -110.06 121.6 45.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.783 HD11 HD11 ' A' ' 77' ' ' ILE . 21.0 mt -155.58 73.43 5.38 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 170.6 20.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.509 1.794 . . . . 0.0 110.955 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.422 ' C ' ' N ' ' A' ' 63' ' ' ASP . 0.4 OUTLIER -55.18 -39.49 69.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -41.63 -27.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.287 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.705 ' CB ' ' CE2' ' A' ' 76' ' ' TYR . 0.1 OUTLIER -116.14 -43.47 2.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.636 HD23 HG22 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -47.2 -25.3 0.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 63' ' ' ASP . . . -69.68 -44.83 69.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . -74.66 -48.07 13.81 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.457 1.098 . . . . 0.0 111.032 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.883 ' HB3' HG22 ' A' ' 73' ' ' VAL . 19.5 mt -39.31 122.9 1.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 109.235 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.64 -38.82 3.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.766 ' O ' HG23 ' A' ' 73' ' ' VAL . 73.2 p -130.55 166.24 21.03 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.498 1.123 . . . . 0.0 110.371 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.583 ' O ' HG23 ' A' ' 74' ' ' VAL . 12.0 t -52.92 -47.56 52.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -52.71 -30.4 35.47 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.439 1.087 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.689 ' O ' HD22 ' A' ' 67' ' ' LEU . 6.1 t0 -86.0 -27.98 24.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 0.735 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.883 HG22 ' HB3' ' A' ' 67' ' ' LEU . 21.2 t -82.87 -19.14 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.227 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 1.029 HG13 ' CD1' ' A' ' 8' ' ' ILE . 91.0 t -90.87 -50.21 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.348 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.505 ' HB1' ' HG3' ' A' ' 79' ' ' LYS . . . -47.24 -56.8 6.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.705 ' CE2' ' CB ' ' A' ' 63' ' ' ASP . 4.6 t80 -45.06 -31.11 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.948 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.783 HD11 HD11 ' A' ' 59' ' ' ILE . 12.3 mt -81.75 -73.11 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.291 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.485 ' NE2' ' CG1' ' A' ' 74' ' ' VAL . 44.4 mt-30 -49.7 -56.71 9.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.505 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 16.8 mmmt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.48 ' N ' ' HB2' ' A' ' 7' ' ' GLU . 1.9 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.451 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 2.7 tp-100 -53.17 -67.22 0.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.769 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -51.48 -19.76 1.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.48 ' HB2' ' N ' ' A' ' 4' ' ' THR . 0.3 OUTLIER -74.9 -42.68 57.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.323 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 1.055 ' CD1' HG13 ' A' ' 74' ' ' VAL . 4.9 mt -94.45 -4.15 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.574 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.8 mt -105.66 -41.16 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.595 1.184 . . . . 0.0 109.245 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.769 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -93.63 -35.29 12.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.02 -40.69 72.84 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.522 1.139 . . . . 0.0 111.056 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.0 OUTLIER -78.37 -53.31 14.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.484 0.755 . . . . 0.0 109.256 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.574 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -41.83 -46.42 3.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.62 -43.71 97.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.43 ' N ' ' O ' ' A' ' 12' ' ' ILE . 28.7 mt -65.2 -44.15 95.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.369 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.2 mt -54.32 -32.82 24.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.506 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 1.1 tm-20 -75.82 2.06 13.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -109.74 -39.69 5.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.738 HG12 ' OG ' ' A' ' 43' ' ' SER . 3.2 t -86.52 -60.08 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 109.306 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.616 HG22 ' OG ' ' A' ' 43' ' ' SER . 31.2 p -83.9 -22.18 31.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.424 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 74.5 21.5 78.68 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.475 1.109 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.512 HG22 ' N ' ' A' ' 23' ' ' GLU . 59.5 mt -80.42 167.0 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 0.752 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.512 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -71.67 151.03 93.52 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -49.5 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.475 1.776 . . . . 0.0 110.969 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.7 -25.35 67.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -62.46 -44.13 97.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.152 . . . . 0.0 110.317 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.47 ' N ' ' CD1' ' A' ' 27' ' ' ILE . 0.6 OUTLIER -64.39 135.51 27.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.419 ' C ' ' H ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -152.79 171.35 6.85 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 110.38 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.413 ' HD2' ' HB ' ' A' ' 28' ' ' THR . 18.3 Cg_endo -75.0 43.72 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.496 1.787 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.419 ' H ' ' C ' ' A' ' 28' ' ' THR . 1.6 mm-40 -139.36 9.06 2.47 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.518 1.137 . . . . 0.0 110.319 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.402 ' HB2' HG23 ' A' ' 70' ' ' VAL . 1.5 mmtt -74.31 167.16 22.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.84 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -128.06 11.58 6.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 109.988 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.573 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.5 t80 80.3 -36.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.538 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -136.74 -56.5 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.367 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.538 ' N ' HG12 ' A' ' 34' ' ' VAL . 4.5 t70 -38.58 -31.16 0.05 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.091 . . . . 0.0 109.269 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -105.56 -67.91 0.9 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.242 -179.909 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.8 mt -42.13 -55.17 3.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 68.07 12.75 8.92 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.676 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -93.21 -19.79 6.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.572 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 14.7 t0 89.06 -170.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.647 ' O ' HG23 ' A' ' 45' ' ' VAL . 45.0 p -85.58 1.37 49.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.966 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.06 -68.45 0.38 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.738 ' OG ' HG12 ' A' ' 19' ' ' VAL . 23.0 t -67.13 -47.85 69.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.978 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.441 ' SD ' ' CE1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -47.71 -31.69 5.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 111.016 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 41' ' ' SER . 1.8 t -65.37 -34.73 72.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.611 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.3 OUTLIER -72.84 -55.67 6.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.249 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.614 HD11 HG23 ' A' ' 20' ' ' THR . 3.9 mt -41.09 -41.81 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.568 1.167 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.958 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -75.01 -47.27 29.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -47.93 -25.89 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 54' ' ' LYS . 33.9 mt-30 -89.41 -60.72 1.87 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.117 . . . . 0.0 110.333 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.735 HG22 HG21 ' A' ' 57' ' ' VAL . 1.2 m -52.07 -37.39 53.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.385 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.958 ' OE1' ' HB1' ' A' ' 48' ' ' ALA . 13.7 mt-10 -75.41 -1.76 25.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.02 -63.19 1.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 109.319 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 50' ' ' GLN . 16.3 mtpt -45.29 -40.95 8.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 109.371 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.515 ' HB3' HG13 ' A' ' 57' ' ' VAL . 0.9 OUTLIER -105.23 -40.65 5.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.892 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' VAL . . . 100.99 4.65 54.16 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.735 HG21 HG22 ' A' ' 51' ' ' THR . 16.2 m -40.69 149.22 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 0.748 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.406 ' O ' ' CG ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -99.29 104.64 16.57 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.572 1.17 . . . . 0.0 109.249 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.859 HD11 ' CG1' ' A' ' 77' ' ' ILE . 20.0 mt -152.33 72.73 7.63 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 169.84 21.73 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.453 1.765 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.62 -40.87 76.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.257 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -50.71 -21.79 1.78 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.588 ' CG ' ' CE2' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -113.19 -33.77 5.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.683 HD13 ' O ' ' A' ' 64' ' ' LEU . 0.7 OUTLIER -58.34 -17.47 20.27 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.467 1.105 . . . . 0.0 109.305 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.11 -37.73 61.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -76.6 -46.61 11.37 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.511 1.132 . . . . 0.0 111.048 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.914 ' HB3' HG22 ' A' ' 73' ' ' VAL . 20.7 mt -40.1 123.59 1.7 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 0.757 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.78 -39.72 3.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.256 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.84 HG22 ' HA ' ' A' ' 32' ' ' SER . 59.6 p -136.49 168.62 19.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.462 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.903 ' O ' HG23 ' A' ' 74' ' ' VAL . 13.9 t -49.4 -47.71 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -52.67 -36.2 48.03 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.488 1.117 . . . . 0.0 111.049 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.674 ' O ' HD22 ' A' ' 67' ' ' LEU . 6.6 t0 -81.6 -32.15 32.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.914 HG22 ' HB3' ' A' ' 67' ' ' LEU . 23.7 t -77.63 -14.0 14.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 1.055 HG13 ' CD1' ' A' ' 8' ' ' ILE . 83.7 t -95.62 -53.03 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.815 ' HB1' ' HG3' ' A' ' 79' ' ' LYS . . . -48.71 -58.34 4.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.892 ' CD2' HD21 ' A' ' 67' ' ' LEU . 1.6 m-85 -40.97 -29.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.859 ' CG1' HD11 ' A' ' 59' ' ' ILE . 14.6 mt -76.08 -78.21 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 79' ' ' LYS . 39.6 mt-30 -53.49 -52.98 57.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.336 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.815 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.4 t . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.466 ' CD ' HD11 ' A' ' 9' ' ' ILE . 2.3 tp-100 -57.27 -65.09 0.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.342 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.799 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -51.5 -19.25 1.35 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -42.34 57.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.552 1.158 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 1.08 HG21 HG22 ' A' ' 74' ' ' VAL . 3.7 mt -95.51 -3.42 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.614 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.4 mt -107.19 -40.93 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.799 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -93.96 -35.95 12.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.09 -41.82 86.03 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.536 1.147 . . . . 0.0 111.049 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.0 OUTLIER -78.6 -52.99 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.55 0.794 . . . . 0.0 109.245 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.614 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -41.6 -49.41 4.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -59.11 -40.29 84.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.46 ' N ' ' O ' ' A' ' 12' ' ' ILE . 16.2 mt -66.48 -46.69 85.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.576 1.173 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.492 HD13 HD21 ' A' ' 37' ' ' LEU . 22.4 mt -55.35 -32.35 29.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 22' ' ' ILE . 1.1 tm-20 -75.42 2.2 12.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -109.37 -37.79 5.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.592 1.182 . . . . 0.0 110.316 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.745 HG12 ' OG ' ' A' ' 43' ' ' SER . 2.7 t -86.97 -58.03 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.496 HG22 ' CB ' ' A' ' 43' ' ' SER . 29.9 p -84.52 -27.35 27.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 110.372 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.14 28.47 58.28 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.447 1.092 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.491 HG22 ' N ' ' A' ' 23' ' ' GLU . 33.7 mt -90.57 166.23 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.491 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.6 OUTLIER -65.78 149.96 96.86 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.435 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 18.4 Cg_endo -75.02 -50.24 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.487 1.783 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.48 -26.53 68.76 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 110.037 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -60.86 -41.17 95.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.494 HG13 ' CE ' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -61.77 134.08 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.9 p -139.57 163.5 44.74 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.393 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 1.26 7.93 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.461 1.769 . . . . 0.0 110.948 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.05 7.01 46.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 1.174 . . . . 0.0 110.336 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.893 ' HZ3' HD21 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -59.73 172.33 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.245 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.561 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -134.6 15.31 3.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.966 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.561 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.3 t80 79.14 -37.31 0.18 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.125 . . . . 0.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.563 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.2 t -136.56 -56.75 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.363 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.563 ' N ' HG12 ' A' ' 34' ' ' VAL . 8.8 t70 -38.04 -31.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -104.01 -65.2 1.04 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.893 HD21 ' HZ3' ' A' ' 31' ' ' LYS . 64.1 mt -44.97 -55.31 5.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.364 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER 68.05 12.33 8.75 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.447 1.092 . . . . 0.0 109.348 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.724 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -95.88 -15.53 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.165 . . . . 0.0 109.249 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.59 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 6.4 t70 89.76 -171.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.4 p -89.56 -0.34 57.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.98 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.47 -71.4 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.745 ' OG ' HG12 ' A' ' 19' ' ' VAL . 9.8 t -60.7 -46.26 91.07 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 0.0 109.973 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.478 ' HG2' HD13 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -47.27 -34.08 6.25 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -60.16 -37.49 73.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.582 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -70.44 -55.04 9.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.52 HG13 HG21 ' A' ' 19' ' ' VAL . 4.5 mt -42.14 -40.29 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.429 ' HB1' ' OE2' ' A' ' 52' ' ' GLU . . . -75.08 -50.32 16.82 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.574 1.171 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.582 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -46.54 -27.33 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.242 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 54' ' ' LYS . 36.5 mt-30 -88.54 -60.01 2.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.3 m -52.09 -36.83 52.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.369 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.429 ' OE2' ' HB1' ' A' ' 48' ' ' ALA . 40.6 mt-10 -74.95 -4.18 36.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.261 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.9 -61.66 1.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 50' ' ' GLN . 6.1 mtpt -43.38 -41.12 4.01 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -101.0 -44.23 5.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.0 40.69 3.71 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.486 1.117 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.5 m -93.48 151.15 3.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.506 0.769 . . . . 0.0 109.225 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.13 118.15 34.08 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.534 HD11 ' CD1' ' A' ' 77' ' ' ILE . 9.1 mt -148.83 64.98 8.01 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.408 ' HD3' ' N ' ' A' ' 59' ' ' ILE . 18.3 Cg_endo -74.98 174.27 13.07 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.47 1.774 . . . . 0.0 111.02 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.407 ' C ' ' N ' ' A' ' 63' ' ' ASP . 0.3 OUTLIER -53.35 -39.58 64.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.265 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -41.88 -26.99 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.713 ' CB ' ' CE2' ' A' ' 76' ' ' TYR . 0.2 OUTLIER -120.3 -44.49 2.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.501 HD23 HG22 ' A' ' 59' ' ' ILE . 0.8 OUTLIER -47.83 -25.0 1.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 63' ' ' ASP . . . -70.64 -41.29 72.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . -78.6 -44.16 11.1 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.496 1.122 . . . . 0.0 110.955 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.952 ' HB3' HG22 ' A' ' 73' ' ' VAL . 10.5 mt -39.25 124.77 1.56 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.603 0.825 . . . . 0.0 109.278 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.43 -42.27 2.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.932 ' O ' HG23 ' A' ' 73' ' ' VAL . 68.9 p -129.19 176.02 8.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.428 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 74' ' ' VAL . 4.0 t -59.11 -45.95 92.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.71 -23.13 42.94 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.502 1.126 . . . . 0.0 110.94 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.608 ' O ' HD22 ' A' ' 67' ' ' LEU . 3.6 t0 -93.86 -31.45 14.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 0.746 . . . . 0.0 109.374 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.952 HG22 ' HB3' ' A' ' 67' ' ' LEU . 16.6 t -82.93 -13.01 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 1.08 HG22 HG21 ' A' ' 8' ' ' ILE . 43.8 t -99.4 -50.23 10.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.24 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.512 ' HB1' ' HG3' ' A' ' 79' ' ' LYS . . . -44.1 -57.86 3.16 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.713 ' CE2' ' CB ' ' A' ' 63' ' ' ASP . 4.0 t80 -47.79 -24.16 0.91 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.534 ' CD1' HD11 ' A' ' 59' ' ' ILE . 1.8 mt -83.42 -75.89 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 79' ' ' LYS . 14.6 mt-30 -52.08 -53.56 40.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.279 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.512 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 8.5 mmmt . . . . . 0 C--N 1.323 -0.552 0 O-C-N 124.481 1.113 . . . . 0.0 109.234 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.419 HG23 ' N ' ' A' ' 5' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.445 -0.206 . . . . 0.0 110.445 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.419 ' N ' HG23 ' A' ' 4' ' ' THR . 2.5 tp-100 -48.76 -68.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.741 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -49.73 -20.86 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 5' ' ' GLN . 0.3 OUTLIER -75.47 -42.74 52.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.331 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.979 HD12 HG13 ' A' ' 74' ' ' VAL . 4.2 mt -92.49 -4.07 10.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.715 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.7 mt -105.94 -39.84 5.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.347 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.741 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -95.38 -39.8 9.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.58 -41.32 96.16 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.3 mt -78.96 -49.95 19.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.504 0.767 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.715 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -40.09 -47.26 2.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -63.66 -41.09 98.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.494 ' N ' ' O ' ' A' ' 12' ' ' ILE . 84.8 mt -63.53 -43.89 98.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.668 HD12 HG12 ' A' ' 27' ' ' ILE . 17.6 mt -58.78 -35.01 53.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.508 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 1.9 tm-20 -74.78 1.51 12.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.517 1.136 . . . . 0.0 110.253 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -108.33 -39.77 5.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.242 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.773 HG12 ' OG ' ' A' ' 43' ' ' SER . 3.2 t -85.57 -61.08 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.088 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.512 HG22 ' OG ' ' A' ' 43' ' ' SER . 39.9 p -81.46 -27.24 34.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.167 . . . . 0.0 110.388 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.04 23.17 64.23 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.509 1.13 . . . . 0.0 110.986 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.508 ' O ' ' CB ' ' A' ' 17' ' ' GLU . 35.9 mt -85.47 166.22 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.561 0.8 . . . . 0.0 109.369 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.498 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -66.38 148.38 98.58 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 110.305 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.566 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 18.3 Cg_endo -74.99 -49.73 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.444 1.76 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -24.51 67.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.985 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.409 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 7.6 tt0 -60.38 -40.57 91.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.842 ' O ' HG23 ' A' ' 28' ' ' THR . 0.7 OUTLIER -61.09 149.01 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.842 HG23 ' O ' ' A' ' 27' ' ' ILE . 0.7 OUTLIER -165.23 166.3 10.77 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.432 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 46.43 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.58 1.832 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -136.66 -25.21 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.237 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -43.71 163.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.806 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -124.56 13.86 8.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.99 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.603 ' CE1' ' SD ' ' A' ' 44' ' ' MET . 1.5 t80 80.7 -36.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.55 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -137.41 -56.41 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.55 ' N ' HG12 ' A' ' 34' ' ' VAL . 7.3 t0 -37.9 -32.13 0.06 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.428 1.08 . . . . 0.0 109.256 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -105.65 -67.65 0.91 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.524 HD12 ' O ' ' A' ' 33' ' ' PHE . 67.7 mt -40.24 -54.63 2.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.72 13.16 9.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.673 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -94.5 -16.55 7.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.573 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 1.8 t70 88.39 -171.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.432 ' O ' HG23 ' A' ' 45' ' ' VAL . 53.4 p -88.0 -0.21 56.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.089 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.21 -68.03 0.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 109.265 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.773 ' OG ' HG12 ' A' ' 19' ' ' VAL . 17.1 t -65.43 -49.46 69.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.013 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.603 ' SD ' ' CE1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -46.44 -34.21 4.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 41' ' ' SER . 0.9 OUTLIER -61.6 -35.33 66.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 109.234 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.581 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -72.11 -54.88 8.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.256 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.5 HD11 HG23 ' A' ' 20' ' ' THR . 3.3 mt -41.56 -41.58 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.998 ' HB1' ' OE2' ' A' ' 52' ' ' GLU . . . -75.02 -51.46 13.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.581 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -46.41 -25.61 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 54' ' ' LYS . 38.8 mt-30 -88.93 -60.61 1.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.403 HG22 HG21 ' A' ' 57' ' ' VAL . 1.1 m -51.82 -38.34 55.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.451 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.998 ' OE2' ' HB1' ' A' ' 48' ' ' ALA . 11.5 mt-10 -74.76 -1.63 22.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 110.262 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.12 -63.63 1.39 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 50' ' ' GLN . 1.4 mttp -43.82 -40.92 4.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -105.09 -47.26 4.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.98 36.14 4.03 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.678 HG22 ' HA ' ' A' ' 52' ' ' GLU . 15.5 m -73.2 149.95 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.753 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.52 96.72 10.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.916 HD11 ' CD1' ' A' ' 77' ' ' ILE . 31.3 mt -143.42 71.14 17.82 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.235 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 168.75 24.15 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.533 1.807 . . . . 0.0 111.023 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.9 -41.13 70.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -51.32 -20.74 1.82 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.6 ' CG ' ' CE2' ' A' ' 76' ' ' TYR . 1.0 OUTLIER -113.6 -34.86 5.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.343 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.64 HD13 ' O ' ' A' ' 64' ' ' LEU . 0.7 OUTLIER -60.36 -15.74 28.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.344 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.76 -39.07 45.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -76.35 -48.78 8.94 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.568 1.168 . . . . 0.0 111.074 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.999 HD21 ' CD2' ' A' ' 76' ' ' TYR . 43.2 mt -39.72 128.17 2.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 0.792 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.86 -41.79 2.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.806 HG22 ' HA ' ' A' ' 32' ' ' SER . 77.6 p -132.95 161.52 34.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 110.363 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.704 ' O ' HG23 ' A' ' 74' ' ' VAL . 22.7 t -45.13 -47.98 3.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -50.9 -35.5 32.09 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.5 1.125 . . . . 0.0 110.923 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.616 ' O ' HD22 ' A' ' 67' ' ' LEU . 8.0 t0 -83.27 -34.93 25.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 0.754 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.93 HG22 ' HB3' ' A' ' 67' ' ' LEU . 23.8 t -73.12 -13.57 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.979 HG13 HD12 ' A' ' 8' ' ' ILE . 78.1 t -95.56 -59.28 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.583 1.177 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.59 ' HB1' ' HG3' ' A' ' 79' ' ' LYS . . . -43.8 -55.19 4.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.312 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.999 ' CD2' HD21 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -43.79 -26.65 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 111.021 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.916 ' CD1' HD11 ' A' ' 59' ' ' ILE . 2.4 mt -86.8 -76.35 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -46.67 -52.5 13.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 110.355 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.59 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 1.8 mmmp? . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.472 ' N ' ' HB2' ' A' ' 7' ' ' GLU . 4.4 t . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.449 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 2.7 tp-100 -54.11 -67.06 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.759 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -51.59 -19.7 1.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.472 ' HB2' ' N ' ' A' ' 4' ' ' THR . 1.1 mm-40 -75.06 -43.01 55.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.349 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 1.062 ' CD1' HG13 ' A' ' 74' ' ' VAL . 4.8 mt -94.06 -4.07 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 109.214 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.614 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.7 mt -105.55 -41.52 6.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.382 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.759 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -93.55 -36.54 12.36 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.44 1.087 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.64 -42.58 79.81 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.386 1.054 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.0 OUTLIER -76.61 -53.27 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.557 0.798 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.614 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -40.45 -48.17 2.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.357 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -59.06 -43.03 91.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.472 ' N ' ' O ' ' A' ' 12' ' ' ILE . 59.7 mt -66.31 -45.96 88.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.519 HD12 ' CG1' ' A' ' 27' ' ' ILE . 39.8 mt -53.93 -30.95 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 22' ' ' ILE . 2.9 tm-20 -77.99 4.05 13.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.152 . . . . 0.0 110.276 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -109.91 -42.78 4.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 0.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.716 HG12 ' OG ' ' A' ' 43' ' ' SER . 3.5 t -80.43 -60.64 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.619 HG22 ' OG ' ' A' ' 43' ' ' SER . 32.3 p -82.03 -29.12 32.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.342 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.63 20.33 64.09 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.506 ' O ' ' CG ' ' A' ' 17' ' ' GLU . 50.8 mt -82.39 165.87 2.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.521 0.777 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.495 ' N ' HG22 ' A' ' 22' ' ' ILE . 3.8 mt-10 -67.74 148.8 98.49 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.241 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.466 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 18.5 Cg_endo -75.07 -50.17 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.484 1.781 . . . . 0.0 111.034 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.91 -25.37 66.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.001 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -63.84 -44.01 94.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.581 1.176 . . . . 0.0 110.355 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.519 ' CG1' HD12 ' A' ' 16' ' ' ILE . 0.8 OUTLIER -60.82 124.26 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.409 1.068 . . . . 0.0 109.315 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.452 ' C ' ' H ' ' A' ' 30' ' ' GLU . 1.1 p -137.92 165.78 31.11 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.358 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.436 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 18.3 Cg_endo -75.0 40.71 0.68 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.56 1.821 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.452 ' H ' ' C ' ' A' ' 28' ' ' THR . 1.8 mm-40 -137.58 6.78 2.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.43 ' O ' HG22 ' A' ' 69' ' ' THR . 1.5 mttt -68.09 169.05 10.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.741 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -129.06 11.59 6.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 109.948 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.567 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.4 t80 80.13 -35.78 0.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.551 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -137.33 -56.59 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.551 ' N ' HG12 ' A' ' 34' ' ' VAL . 19.1 t0 -38.34 -31.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -105.66 -67.86 0.9 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.4 HD11 ' CE ' ' A' ' 44' ' ' MET . 43.9 mt -41.55 -55.39 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 68.31 14.25 9.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.127 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.708 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -95.08 -18.91 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.582 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 5.3 t70 89.8 -172.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.26 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.4 p -85.78 3.35 41.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.969 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -68.41 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.716 ' OG ' HG12 ' A' ' 19' ' ' VAL . 25.7 t -66.08 -49.67 66.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.904 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.4 ' CE ' HD11 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -47.07 -30.16 2.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.949 -179.924 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -65.35 -35.99 76.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.466 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.3 OUTLIER -72.02 -56.01 6.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.259 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.533 HG13 HG21 ' A' ' 19' ' ' VAL . 2.7 mt -39.57 -43.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.811 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -72.95 -49.33 29.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.41 1.069 . . . . 0.0 109.345 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.466 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -48.23 -25.25 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 54' ' ' LYS . 38.2 mt-30 -89.98 -60.51 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.644 HG22 HG21 ' A' ' 57' ' ' VAL . 1.2 m -51.97 -37.76 54.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.358 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.811 ' OE1' ' HB1' ' A' ' 48' ' ' ALA . 16.8 mt-10 -75.7 -1.17 23.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.442 1.089 . . . . 0.0 110.365 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.89 -62.38 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 50' ' ' GLN . 47.1 mttt -44.06 -41.14 5.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.402 ' HH ' ' CD ' ' A' ' 7' ' ' GLU . 0.7 OUTLIER -106.48 -48.48 3.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 110.961 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 107.56 17.35 11.38 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.517 1.135 . . . . 0.0 110.955 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.644 HG21 HG22 ' A' ' 51' ' ' THR . 20.5 m -54.17 149.52 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 0.786 . . . . 0.0 109.263 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -94.42 100.65 12.62 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.712 ' O ' HG22 ' A' ' 59' ' ' ILE . 37.8 mt -149.37 64.43 7.26 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.414 ' HD3' ' N ' ' A' ' 59' ' ' ILE . 18.6 Cg_endo -74.96 169.22 23.09 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.527 1.803 . . . . 0.0 111.087 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.55 -42.04 32.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -51.73 -20.95 2.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.26 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.59 ' CG ' ' CE2' ' A' ' 76' ' ' TYR . 0.7 OUTLIER -113.8 -34.18 5.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.424 1.077 . . . . 0.0 109.304 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.587 HD13 ' O ' ' A' ' 64' ' ' LEU . 0.8 OUTLIER -60.6 -15.56 29.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.01 -37.52 46.88 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -80.54 -45.75 7.76 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.446 1.091 . . . . 0.0 111.006 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.929 HD21 ' CD2' ' A' ' 76' ' ' TYR . 15.7 mt -39.94 121.34 1.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 0.765 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.41 -40.44 3.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.803 ' O ' HG23 ' A' ' 73' ' ' VAL . 69.4 p -134.42 171.97 13.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.409 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.938 ' O ' HG23 ' A' ' 74' ' ' VAL . 11.1 t -53.73 -45.67 61.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -53.78 -39.3 61.38 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.509 1.131 . . . . 0.0 111.026 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.6 ' O ' HD22 ' A' ' 67' ' ' LEU . 7.3 t0 -79.06 -30.11 43.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 0.76 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.887 HG22 ' HB3' ' A' ' 67' ' ' LEU . 46.2 t -80.13 -14.7 13.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 1.062 HG13 ' CD1' ' A' ' 8' ' ' ILE . 70.7 t -96.75 -53.72 7.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.701 ' HB1' ' HG3' ' A' ' 79' ' ' LYS . . . -48.67 -56.85 7.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.929 ' CD2' HD21 ' A' ' 67' ' ' LEU . 1.1 m-30 -41.52 -27.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.977 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.476 HG12 HD11 ' A' ' 59' ' ' ILE . 2.9 mt -81.28 -78.12 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -50.72 -51.06 53.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.344 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.701 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 1.3 mmmp? . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.566 HG22 ' OE1' ' A' ' 7' ' ' GLU . 1.3 t . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.462 ' N ' HG23 ' A' ' 4' ' ' THR . 2.9 tp-100 -54.31 -66.77 0.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.747 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -51.3 -19.84 1.44 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.566 ' OE1' HG22 ' A' ' 4' ' ' THR . 0.6 OUTLIER -74.41 -42.57 58.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.818 ' CD1' HG13 ' A' ' 74' ' ' VAL . 5.0 mt -94.98 -3.65 10.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.602 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.8 mt -105.96 -41.54 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.747 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -93.81 -36.36 12.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.242 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.87 -42.41 78.71 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.439 1.087 . . . . 0.0 110.978 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 15' ' ' ILE . 0.8 OUTLIER -76.91 -53.5 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 0.755 . . . . 0.0 109.229 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.602 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -41.07 -47.68 3.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -58.53 -45.22 89.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.252 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.427 ' N ' ' O ' ' A' ' 12' ' ' ILE . 54.8 mt -65.32 -45.26 93.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 109.221 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.538 HD12 HG12 ' A' ' 27' ' ' ILE . 22.3 mt -53.12 -33.54 20.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.503 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 22.3 tt0 -75.54 1.81 13.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -105.79 -49.39 3.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.885 HG12 ' OG ' ' A' ' 43' ' ' SER . 2.9 t -76.96 -67.4 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.69 HG22 ' HB3' ' A' ' 43' ' ' SER . 43.2 p -73.63 -32.86 64.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.23 24.03 49.31 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.45 1.094 . . . . 0.0 111.02 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.503 ' O ' ' CB ' ' A' ' 17' ' ' GLU . 38.5 mt -82.43 166.04 2.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 0.764 . . . . 0.0 109.272 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.497 ' N ' HG22 ' A' ' 22' ' ' ILE . 1.2 mt-10 -69.41 153.42 95.84 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.417 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 18.3 Cg_endo -75.02 -49.88 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.441 1.758 . . . . 0.0 110.943 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.02 -21.79 65.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.162 . . . . 0.0 110.013 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.46 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 20.3 tt0 -62.21 -45.42 93.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 110.335 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.538 HG12 HD12 ' A' ' 16' ' ' ILE . 0.7 OUTLIER -62.49 132.82 28.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.253 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.432 ' C ' ' H ' ' A' ' 30' ' ' GLU . 1.3 p -144.56 164.7 26.71 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 110.401 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.403 ' HB3' HD11 ' A' ' 9' ' ' ILE . 18.2 Cg_endo -74.98 42.7 0.87 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.491 1.785 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.432 ' H ' ' C ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -141.18 9.49 2.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.145 . . . . 0.0 110.348 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -71.38 165.97 22.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.715 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -125.89 13.4 7.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.018 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.562 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.1 t80 79.42 -33.82 0.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.564 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -138.18 -57.68 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.564 ' N ' HG12 ' A' ' 34' ' ' VAL . 10.5 t0 -37.39 -32.74 0.05 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -104.95 -66.67 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.231 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.2 mt -43.71 -54.23 5.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 109.347 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 34' ' ' VAL . 1.6 t0 65.81 15.88 10.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.685 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -97.98 -17.78 6.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.919 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.567 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 1.7 t70 88.57 -169.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.665 ' O ' HG23 ' A' ' 45' ' ' VAL . 13.7 p -90.54 0.5 57.32 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.48 1.112 . . . . 0.0 110.041 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.09 -67.97 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.885 ' OG ' HG12 ' A' ' 19' ' ' VAL . 0.7 OUTLIER -65.62 -49.09 70.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.915 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.451 ' SD ' ' CE1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -47.35 -37.48 11.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 110.981 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 41' ' ' SER . 1.7 t -57.3 -35.49 49.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.546 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -73.67 -53.55 10.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.633 HD11 HG23 ' A' ' 20' ' ' THR . 2.4 mt -40.15 -43.44 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.48 -48.57 26.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.546 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -48.3 -27.56 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 54' ' ' LYS . 36.1 mt-30 -87.98 -58.39 2.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -51.13 -39.64 56.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.39 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.486 ' HA ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -75.68 -0.28 20.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.12 -63.84 1.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 50' ' ' GLN . 9.0 mtpt -50.59 -42.69 56.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -100.3 -48.54 4.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 111.007 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.23 29.53 6.71 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.432 1.082 . . . . 0.0 111.076 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.486 HG22 ' HA ' ' A' ' 52' ' ' GLU . 2.7 m -59.09 -171.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.514 0.773 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.499 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 0.5 OUTLIER -129.88 100.09 5.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 109.26 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.779 HD11 HD11 ' A' ' 77' ' ' ILE . 21.8 mt -156.38 78.25 4.17 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 167.75 26.35 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.475 1.776 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.12 -41.02 87.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -54.34 -18.41 4.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -112.26 -33.51 6.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.231 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.728 HD13 ' O ' ' A' ' 64' ' ' LEU . 1.0 OUTLIER -54.25 -20.01 6.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.27 -29.73 48.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -79.42 -50.42 5.73 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.554 1.159 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.935 ' HB3' HG22 ' A' ' 73' ' ' VAL . 10.2 mt -38.98 126.83 1.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.792 . . . . 0.0 109.317 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.61 -40.86 2.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.755 ' O ' HG23 ' A' ' 73' ' ' VAL . 40.7 p -135.09 171.27 14.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.405 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.561 ' O ' HG23 ' A' ' 74' ' ' VAL . 9.6 t -54.59 -41.43 55.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.66 -26.92 63.14 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.404 ' O ' HD22 ' A' ' 67' ' ' LEU . 6.9 t0 -90.46 -32.87 16.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 0.767 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.935 HG22 ' HB3' ' A' ' 67' ' ' LEU . 22.1 t -77.28 -13.73 14.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.818 HG13 ' CD1' ' A' ' 8' ' ' ILE . 53.9 t -98.53 -56.58 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.519 ' HB1' ' HG3' ' A' ' 79' ' ' LYS . . . -46.09 -57.34 4.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.267 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.865 ' CD2' HD21 ' A' ' 67' ' ' LEU . 3.2 m-85 -42.07 -30.7 0.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 111.045 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.779 HD11 HD11 ' A' ' 59' ' ' ILE . 3.1 mt -84.09 -74.95 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.416 ' O ' ' C ' ' A' ' 79' ' ' LYS . 10.6 mt-30 -47.87 -56.85 6.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.344 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.519 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 35.3 mmtm . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.699 HG22 ' H ' ' A' ' 5' ' ' GLN . 19.5 m . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.699 ' H ' HG22 ' A' ' 4' ' ' THR . 2.8 tp-100 -54.45 -67.98 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.336 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.785 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -49.79 -19.41 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.218 -179.913 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.424 ' HB2' ' N ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -74.25 -43.18 58.02 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.565 1.166 . . . . 0.0 110.356 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 1.082 ' CD1' HG13 ' A' ' 74' ' ' VAL . 6.8 mt -95.19 -3.6 10.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.15 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.491 ' CD1' ' HG3' ' A' ' 5' ' ' GLN . 2.9 mt -106.1 -40.83 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.785 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -94.2 -34.77 12.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -71.47 -39.27 61.48 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.422 HG13 ' HA ' ' A' ' 8' ' ' ILE . 0.8 OUTLIER -76.76 -53.36 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.461 0.742 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.493 ' HB1' ' O ' ' A' ' 24' ' ' PRO . . . -41.43 -46.98 3.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -58.9 -46.7 87.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.34 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.6 mt -64.23 -43.72 97.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.443 HD12 ' CG1' ' A' ' 27' ' ' ILE . 10.8 mt -53.68 -31.61 20.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.473 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 1.8 tm-20 -78.07 3.22 15.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -108.48 -45.9 3.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.443 1.089 . . . . 0.0 110.243 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.902 HG12 ' OG ' ' A' ' 43' ' ' SER . 2.5 t -80.74 -67.0 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.733 HG22 ' HB3' ' A' ' 43' ' ' SER . 24.5 p -74.9 -25.39 58.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.397 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.19 23.9 70.1 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.555 1.159 . . . . 0.0 111.014 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.522 HG22 ' N ' ' A' ' 23' ' ' GLU . 59.0 mt -83.75 166.92 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 0.782 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.522 ' N ' HG22 ' A' ' 22' ' ' ILE . 2.9 mt-10 -69.39 150.7 97.03 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.493 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 18.4 Cg_endo -75.01 -49.68 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.02 -24.05 65.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.045 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -66.09 -48.28 71.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.338 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.462 HD11 HG21 ' A' ' 22' ' ' ILE . 0.7 OUTLIER -60.35 123.23 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.418 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 0.1 OUTLIER -133.22 170.32 11.69 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.39 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.459 ' HB3' HD11 ' A' ' 9' ' ' ILE . 18.3 Cg_endo -74.94 2.07 7.0 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.552 1.817 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -91.11 -9.73 44.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -56.25 164.96 1.15 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.373 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.709 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -125.69 17.7 8.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.977 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.628 ' O ' HD12 ' A' ' 37' ' ' LEU . 1.5 t80 80.27 -38.79 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.511 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.0 OUTLIER -138.53 -54.81 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.342 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.511 ' N ' HG12 ' A' ' 34' ' ' VAL . 17.3 t0 -38.16 -31.35 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.155 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.5 OUTLIER -107.28 -66.47 1.02 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.628 HD12 ' O ' ' A' ' 33' ' ' PHE . 78.0 mt -39.81 -55.01 2.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.289 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 68.11 10.9 8.11 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.567 1.167 . . . . 0.0 109.319 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.607 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -91.37 -19.53 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.226 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.59 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 2.0 t70 89.26 -171.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.348 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 95.1 p -89.77 3.84 51.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.035 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.25 -70.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.902 ' OG ' HG12 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -64.89 -43.33 93.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.028 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.488 ' SD ' ' CD1' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -52.36 -31.08 31.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 111.047 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.2 t -61.88 -38.67 81.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.593 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.2 OUTLIER -70.84 -55.44 8.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.289 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.708 HD11 HG23 ' A' ' 20' ' ' THR . 3.4 mt -39.27 -42.47 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.351 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.404 ' C ' ' N ' ' A' ' 50' ' ' GLN . . . -75.87 -46.73 28.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.593 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -48.31 -24.71 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 54' ' ' LYS . 34.8 mt-30 -90.08 -60.47 1.92 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.264 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -51.3 -39.27 56.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.417 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.62 ' HA ' HG22 ' A' ' 57' ' ' VAL . 20.8 mt-10 -74.41 -1.7 22.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.39 -61.51 1.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.414 1.071 . . . . 0.0 109.315 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' GLN . 1.4 mtpp -43.74 -42.46 5.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -104.93 -50.48 3.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 105.0 39.27 2.34 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.62 HG22 ' HA ' ' A' ' 52' ' ' GLU . 3.7 m -73.45 151.3 7.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.517 0.775 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.97 113.54 27.15 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.469 1.106 . . . . 0.0 109.351 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.658 HD11 HG12 ' A' ' 77' ' ' ILE . 13.5 mt -150.66 76.18 8.29 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.435 1.084 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 170.0 21.38 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.502 1.791 . . . . 0.0 111.055 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.91 -40.16 79.7 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -46.55 -23.91 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.491 ' OD1' ' CD2' ' A' ' 76' ' ' TYR . 0.4 OUTLIER -113.67 -37.18 4.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.286 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.634 HD13 ' O ' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -55.51 -19.43 9.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.53 -40.34 76.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -80.56 -45.48 7.9 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.489 1.118 . . . . 0.0 110.941 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.912 ' HB3' HG22 ' A' ' 73' ' ' VAL . 14.8 mt -38.98 115.66 0.5 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.42 0.717 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.98 -37.84 4.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 110.355 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.821 ' O ' HG23 ' A' ' 73' ' ' VAL . 42.4 p -132.48 170.69 14.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.379 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.552 HG12 ' CG2' ' A' ' 74' ' ' VAL . 4.7 t -56.12 -55.41 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -43.03 -32.15 1.43 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.54 1.15 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.573 ' OD1' ' CE1' ' A' ' 76' ' ' TYR . 6.3 t0 -87.49 -37.27 17.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 0.749 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.912 HG22 ' HB3' ' A' ' 67' ' ' LEU . 39.7 t -74.68 -12.16 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 1.082 HG13 ' CD1' ' A' ' 8' ' ' ILE . 78.3 t -98.12 -58.23 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.584 ' HB1' ' CG ' ' A' ' 79' ' ' LYS . . . -49.52 -56.14 10.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.817 ' CD2' HD21 ' A' ' 67' ' ' LEU . 2.5 m-85 -41.41 -26.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 111.044 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.658 HG12 HD11 ' A' ' 59' ' ' ILE . 3.1 mt -75.21 -65.5 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.453 ' O ' ' C ' ' A' ' 79' ' ' LYS . 24.6 mt-30 -83.41 -62.66 1.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.584 ' CG ' ' HB1' ' A' ' 75' ' ' ALA . 15.5 mmtm . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.316 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.616 HG22 ' CD ' ' A' ' 7' ' ' GLU . 6.6 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.454 ' N ' ' OG1' ' A' ' 4' ' ' THR . 2.5 tp-100 -57.92 -65.17 0.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.751 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -51.52 -19.01 1.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.587 1.179 . . . . 0.0 110.251 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.616 ' CD ' HG22 ' A' ' 4' ' ' THR . 0.0 OUTLIER -75.32 -45.03 42.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 110.322 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 1.092 HD12 HG13 ' A' ' 74' ' ' VAL . 4.1 mt -91.77 -3.57 10.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.373 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.595 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.7 mt -105.36 -42.15 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.395 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.751 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -93.32 -36.44 12.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.36 -41.94 83.92 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.458 1.099 . . . . 0.0 110.94 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.447 HD11 HG21 ' A' ' 51' ' ' THR . 1.0 OUTLIER -77.58 -53.46 14.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.509 0.77 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.595 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -41.5 -49.96 3.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -57.37 -43.17 83.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 12' ' ' ILE . 98.9 mt -66.4 -47.75 83.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.68 HD12 ' CG1' ' A' ' 27' ' ' ILE . 21.8 mt -53.33 -34.12 22.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.227 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.479 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 0.1 OUTLIER -76.44 3.67 10.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -110.79 -47.4 3.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.733 HG12 ' OG ' ' A' ' 43' ' ' SER . 3.3 t -76.28 -64.21 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.575 HG22 ' OG ' ' A' ' 43' ' ' SER . 45.8 p -79.17 -30.76 43.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 110.345 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.59 23.56 53.14 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.513 1.133 . . . . 0.0 111.063 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.483 HG22 ' N ' ' A' ' 23' ' ' GLU . 41.6 mt -82.73 165.56 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.453 0.737 . . . . 0.0 109.281 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.483 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -66.27 152.37 94.35 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.444 1.09 . . . . 0.0 110.209 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.475 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 18.2 Cg_endo -75.0 -54.51 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.494 1.786 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.26 -23.56 67.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.469 1.106 . . . . 0.0 109.928 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.447 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 17.6 tt0 -61.39 -44.23 97.51 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.559 1.162 . . . . 0.0 110.342 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.894 ' O ' HG23 ' A' ' 28' ' ' THR . 0.7 OUTLIER -59.66 143.91 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.894 HG23 ' O ' ' A' ' 27' ' ' ILE . 0.2 OUTLIER -170.21 168.82 4.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 110.392 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.413 ' HD2' ' HB ' ' A' ' 28' ' ' THR . 18.5 Cg_endo -74.99 49.01 2.14 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.55 1.816 . . . . 0.0 111.075 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -132.21 -29.41 1.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.33 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.901 ' NZ ' HD23 ' A' ' 37' ' ' LEU . 10.1 mmtt -49.58 167.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.369 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.557 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -129.31 23.33 5.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.028 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.817 ' CZ ' HD11 ' A' ' 64' ' ' LEU . 0.4 OUTLIER 78.97 -39.29 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.491 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.0 OUTLIER -140.06 -54.31 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.491 ' N ' HG12 ' A' ' 34' ' ' VAL . 6.2 t70 -37.87 -31.54 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -106.73 -66.0 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.901 HD23 ' NZ ' ' A' ' 31' ' ' LYS . 79.1 mt -41.99 -56.39 2.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.03 14.2 8.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.352 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.658 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -95.44 -16.51 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.264 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.601 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 7.7 t0 89.83 -172.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 109.348 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.5 p -90.47 3.45 53.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.005 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.56 -69.52 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.733 ' OG ' HG12 ' A' ' 19' ' ' VAL . 42.9 t -62.23 -53.88 48.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.945 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.792 ' HE1' ' CD2' ' A' ' 33' ' ' PHE . 4.3 mtm -42.64 -37.36 1.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.1 t -55.09 -40.0 52.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.57 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.4 OUTLIER -69.45 -53.88 17.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.255 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.547 HD11 HG23 ' A' ' 20' ' ' THR . 3.5 mt -41.27 -41.69 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.79 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -77.49 -47.72 18.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.57 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -47.8 -24.59 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 54' ' ' LYS . 34.1 mt-30 -91.78 -60.94 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.274 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.447 HG21 HD11 ' A' ' 12' ' ' ILE . 2.8 m -52.52 -34.83 51.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 110.391 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.79 ' OE1' ' HB1' ' A' ' 48' ' ' ALA . 8.3 mt-10 -78.88 -1.97 37.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.43 -62.0 1.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 50' ' ' GLN . 19.2 mtmt -43.63 -41.75 4.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.439 ' OH ' ' CG ' ' A' ' 7' ' ' GLU . 1.3 m-85 -103.13 -47.13 4.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.56 1.163 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 101.56 33.11 4.9 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.526 1.141 . . . . 0.0 111.035 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.745 HG22 ' HA ' ' A' ' 52' ' ' GLU . 21.7 m -72.11 148.89 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 0.78 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.437 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -102.33 117.44 34.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 109.326 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.697 HG22 HD23 ' A' ' 64' ' ' LEU . 36.1 mt -154.29 74.67 6.04 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 172.42 16.4 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.57 1.826 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.407 ' HA ' ' HB3' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -56.92 -39.31 74.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.35 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -43.21 -26.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.266 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.689 ' CB ' ' CE2' ' A' ' 76' ' ' TYR . 0.1 OUTLIER -115.52 -39.42 3.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.817 HD11 ' CZ ' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -52.12 -21.78 3.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.55 -30.78 67.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -91.97 -56.89 1.55 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.589 1.18 . . . . 0.0 110.956 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.005 HD13 ' HA ' ' A' ' 73' ' ' VAL . 10.4 mt -39.11 115.71 0.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 0.756 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.14 -52.8 2.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.907 ' O ' HG23 ' A' ' 73' ' ' VAL . 70.3 p -107.71 163.41 13.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.404 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.855 ' O ' HG23 ' A' ' 74' ' ' VAL . 16.1 t -53.29 -41.78 44.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.01 -36.09 66.23 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.563 1.164 . . . . 0.0 111.057 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.581 ' O ' HD22 ' A' ' 67' ' ' LEU . 4.5 t0 -85.85 -31.09 22.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.747 . . . . 0.0 109.301 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 1.005 ' HA ' HD13 ' A' ' 67' ' ' LEU . 16.4 t -79.18 -12.83 13.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 1.092 HG13 HD12 ' A' ' 8' ' ' ILE . 73.8 t -97.22 -49.09 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.593 ' HB1' ' HG3' ' A' ' 79' ' ' LYS . . . -44.11 -56.59 3.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' TYR . . . . . 0.689 ' CE2' ' CB ' ' A' ' 63' ' ' ASP . 4.3 t80 -48.34 -27.06 2.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.78 HD12 HD13 ' A' ' 8' ' ' ILE . 4.9 mt -74.49 -73.16 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 79' ' ' LYS . 35.6 mt-30 -59.17 -52.57 65.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 110.344 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.593 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 6.3 mmmt . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.438 1.086 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.516 ' CB ' ' HD3' ' A' ' 2' ' ' PRO . 2.4 mtt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.553 0.216 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.516 ' HD3' ' CB ' ' A' ' 1' ' ' MET . 18.5 Cg_endo -75.0 175.8 10.76 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.425 1.75 . . . . 0.0 111.01 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.58 ' O ' HG13 ' A' ' 3' ' ' VAL . 11.2 p -67.09 104.83 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.3 t -94.3 -172.35 2.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.368 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.424 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 2.5 tp-100 -62.45 -62.93 1.41 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 110.283 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.794 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -51.94 -18.2 1.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.337 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.403 ' O ' ' HA3' ' A' ' 11' ' ' GLY . 0.1 OUTLIER -76.27 -47.42 23.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.266 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 1.093 HD12 HG13 ' A' ' 74' ' ' VAL . 5.8 mt -88.72 -3.96 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.623 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.8 mt -105.36 -42.23 6.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.112 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.794 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -93.41 -38.99 11.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 7' ' ' GLU . . . -65.69 -41.56 95.81 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.554 HD11 HG21 ' A' ' 51' ' ' THR . 0.9 OUTLIER -77.89 -51.79 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.623 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -42.46 -46.96 4.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -59.14 -47.04 86.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.8 mt -62.4 -42.14 94.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.505 HD12 ' CG1' ' A' ' 27' ' ' ILE . 6.3 mt -55.36 -33.67 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.464 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 4.2 tm-20 -74.98 1.29 13.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.59 -43.97 4.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.802 HG12 ' OG ' ' A' ' 43' ' ' SER . 2.6 t -84.45 -65.56 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.25 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.71 HG23 HD11 ' A' ' 47' ' ' ILE . 41.7 p -76.83 -20.4 56.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 70.61 21.8 77.82 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.502 1.126 . . . . 0.0 111.047 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.5 HG22 ' N ' ' A' ' 23' ' ' GLU . 55.5 mt -81.01 165.35 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.5 ' N ' HG22 ' A' ' 22' ' ' ILE . 3.4 mt-10 -69.57 154.05 95.16 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.259 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.432 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 18.3 Cg_endo -75.01 -49.91 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.498 1.788 . . . . 0.0 110.951 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.68 -24.05 64.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.972 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.436 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 13.9 tt0 -63.7 -46.15 86.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.546 HD12 ' HZ3' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -61.76 132.32 27.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.409 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 0.6 OUTLIER -137.62 167.34 20.89 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 110.366 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.472 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 18.3 Cg_endo -75.01 1.86 7.28 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.781 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.08 2.18 53.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.546 ' HZ3' HD12 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -61.08 167.94 2.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.795 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -128.53 12.33 6.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.972 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.566 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.3 t80 79.91 -36.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.55 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -136.89 -56.59 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.55 ' N ' HG12 ' A' ' 34' ' ' VAL . 17.3 t0 -38.3 -31.34 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -105.69 -67.98 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.407 HD12 ' SD ' ' A' ' 44' ' ' MET . 47.3 mt -41.82 -55.3 3.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 68.7 12.05 8.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.607 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -91.76 -17.63 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.573 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 6.2 t70 88.0 -170.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.678 ' O ' HG23 ' A' ' 45' ' ' VAL . 14.0 p -87.51 -0.18 56.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.47 -67.86 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.802 ' OG ' HG12 ' A' ' 19' ' ' VAL . 6.6 t -65.52 -48.83 71.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.024 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.52 ' SD ' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -47.22 -35.48 7.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 111.003 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 41' ' ' SER . 2.0 t -60.88 -33.4 55.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.634 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -74.43 -54.14 8.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.334 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.71 HD11 HG23 ' A' ' 20' ' ' THR . 3.5 mt -43.51 -38.45 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.892 ' HB1' ' OE2' ' A' ' 52' ' ' GLU . . . -73.77 -48.38 32.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.634 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -48.61 -25.96 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 54' ' ' LYS . 33.9 mt-30 -89.04 -59.78 2.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.125 . . . . 0.0 110.306 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.554 HG21 HD11 ' A' ' 12' ' ' ILE . 3.0 m -51.47 -38.98 56.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.415 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.892 ' OE2' ' HB1' ' A' ' 48' ' ' ALA . 1.5 mt-10 -74.82 -2.12 25.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.336 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.23 -60.76 1.82 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 50' ' ' GLN . 11.6 mttt -40.85 -42.33 1.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.451 ' CD1' ' CG1' ' A' ' 57' ' ' VAL . 44.8 t80 -106.86 -53.16 2.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 111.043 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.38 26.13 4.69 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.488 1.118 . . . . 0.0 110.974 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.534 HG22 ' HA ' ' A' ' 52' ' ' GLU . 9.7 m -64.5 158.03 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.78 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.481 ' HD2' HD12 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -100.42 104.08 15.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.747 ' O ' HG22 ' A' ' 59' ' ' ILE . 41.1 mt -148.53 65.93 8.8 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 169.67 22.11 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.428 1.751 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.23 -42.01 39.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -51.74 -20.77 2.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.282 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.604 ' CG ' ' CE2' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -113.64 -34.15 5.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.265 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.677 HD13 ' O ' ' A' ' 64' ' ' LEU . 0.7 OUTLIER -60.94 -15.37 30.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.13 -38.22 36.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -78.95 -46.98 7.96 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.908 ' HB3' HG22 ' A' ' 73' ' ' VAL . 19.0 mt -39.75 115.41 0.52 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 0.76 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.96 -40.18 5.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.324 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.894 ' O ' HG23 ' A' ' 73' ' ' VAL . 35.8 p -134.01 175.5 9.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.41 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.634 ' O ' HG23 ' A' ' 74' ' ' VAL . 5.7 t -57.33 -49.4 80.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -49.95 -37.03 28.34 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.125 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.566 ' C ' HD22 ' A' ' 67' ' ' LEU . 2.2 t70 -80.56 -35.56 34.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 0.788 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.908 HG22 ' HB3' ' A' ' 67' ' ' LEU . 48.2 t -72.18 -15.87 18.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 1.093 HG13 HD12 ' A' ' 8' ' ' ILE . 80.0 t -94.55 -55.72 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.635 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -46.0 -55.28 7.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.844 ' CG ' HD21 ' A' ' 67' ' ' LEU . 1.8 m-30 -42.3 -27.36 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.517 ' CG1' HD11 ' A' ' 59' ' ' ILE . 2.7 mt -85.29 -75.92 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 81' ' ' GLU . 43.7 mt-30 -48.91 -54.31 15.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.59 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 23.3 mmtm -44.41 -45.78 9.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.481 HD12 ' HD2' ' A' ' 58' ' ' LYS . 0.2 OUTLIER -54.53 -40.06 68.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.462 ' O ' ' CB ' ' A' ' 82' ' ' GLU . 5.4 mm-40 -83.35 -88.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.462 ' CB ' ' O ' ' A' ' 81' ' ' GLU . 0.9 OUTLIER 163.94 92.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.289 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -130.59 -75.74 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.344 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.466 ' O ' ' NZ ' ' A' ' 79' ' ' LYS . 2.7 t30 -114.99 89.83 21.03 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 53.14 3.23 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.516 1.798 . . . . 0.0 111.028 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.758 ' O ' HD12 ' A' ' 95' ' ' ILE . 13.8 tt0 -122.37 -59.58 1.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.276 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.811 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . . . -171.0 -51.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.7 ' HB2' ' O ' ' A' ' 87' ' ' ALA . . . 162.56 -171.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.681 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 26.6 mt-30 -97.63 85.87 3.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.265 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.681 ' HB2' ' O ' ' A' ' 89' ' ' GLN . . . 162.87 -47.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.913 HD13 ' O ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -39.98 137.33 0.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.676 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 0.0 OUTLIER -164.15 56.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.676 ' HB2' ' O ' ' A' ' 92' ' ' ARG . . . 163.8 73.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 67.45 140.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.758 HD12 ' O ' ' A' ' 86' ' ' GLU . 29.2 mm -58.01 -82.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.59 -47.65 1.34 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.146 . . . . 0.0 110.248 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.99 56.75 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.01 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -72.45 150.13 43.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -168.96 84.9 0.66 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 69.54 5.52 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.457 1.767 . . . . 0.0 110.992 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.629 ' O ' ' HB3' ' A' ' 102' ' ' ALA . 1.4 t0 -157.74 -58.29 0.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' A' ' 101' ' ' ASP . . . 80.39 42.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.454 HG12 ' N ' ' A' ' 104' ' ' ALA . 21.1 t -44.59 165.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.454 ' N ' HG12 ' A' ' 103' ' ' VAL . . . -177.19 56.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.3 t30 175.6 -156.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 1.4 t -122.05 168.56 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.582 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.0 OUTLIER -131.73 -154.95 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 107' ' ' GLN . . . 76.42 24.35 1.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.37 19.17 12.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.328 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.01 164.94 11.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -128.17 -148.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.342 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -164.1 174.71 10.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -109.93 -59.31 1.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.267 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.51 146.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.001 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.477 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 2.8 ttm . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.561 0.22 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.3 Cg_endo -74.9 -34.29 4.06 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.462 1.769 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.602 HG22 HD11 ' A' ' 8' ' ' ILE . 8.9 p 42.89 41.39 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.627 HG22 ' H ' ' A' ' 5' ' ' GLN . 32.8 m -74.8 178.74 5.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.314 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.627 ' H ' HG22 ' A' ' 4' ' ' THR . 2.7 tp-100 -48.96 -69.16 0.13 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.468 1.105 . . . . 0.0 110.364 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.733 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -50.39 -21.08 1.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.491 ' HB2' ' N ' ' A' ' 4' ' ' THR . 0.6 OUTLIER -74.29 -43.48 56.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 1.045 ' CD1' HG13 ' A' ' 74' ' ' VAL . 4.1 mt -92.9 -4.13 10.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.144 . . . . 0.0 109.344 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.605 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.8 mt -105.06 -41.59 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.733 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -92.76 -35.99 13.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 109.223 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.34 -42.74 73.37 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.474 1.109 . . . . 0.0 110.952 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.0 OUTLIER -76.17 -53.53 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 0.791 . . . . 0.0 109.24 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -40.46 -46.97 2.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -59.64 -43.64 93.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.326 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.473 ' N ' ' O ' ' A' ' 12' ' ' ILE . 32.4 mt -64.84 -44.55 96.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.436 1.085 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.561 HD12 HG12 ' A' ' 27' ' ' ILE . 26.1 mt -53.82 -32.33 21.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.517 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 0.3 OUTLIER -76.77 3.19 12.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.11 -45.25 3.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.266 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.768 HG12 ' OG ' ' A' ' 43' ' ' SER . 2.8 t -79.02 -62.69 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.409 1.068 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.471 HG22 ' OG ' ' A' ' 43' ' ' SER . 36.7 p -80.34 -30.99 38.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 110.423 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.1 24.53 51.88 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.452 1.095 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.517 ' O ' ' CB ' ' A' ' 17' ' ' GLU . 33.1 mt -85.5 166.15 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.492 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -68.84 148.22 97.94 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.419 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 18.2 Cg_endo -75.08 -50.0 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.468 1.773 . . . . 0.0 110.946 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.27 -24.64 67.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 110.02 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -62.57 -42.64 99.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 110.324 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.561 HG12 HD12 ' A' ' 16' ' ' ILE . 0.7 OUTLIER -61.37 130.97 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.245 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.452 ' C ' ' H ' ' A' ' 30' ' ' GLU . 0.9 OUTLIER -141.02 165.74 27.33 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.436 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.416 ' HB3' HD11 ' A' ' 9' ' ' ILE . 18.2 Cg_endo -75.05 40.35 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.452 ' H ' ' C ' ' A' ' 28' ' ' THR . 1.7 mm-40 -138.56 8.93 2.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.082 . . . . 0.0 110.314 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.413 ' NZ ' ' HB3' ' A' ' 36' ' ' ASP . 1.4 mmtt -69.6 167.92 15.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.788 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -129.09 12.31 6.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.035 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.635 ' HZ ' HD11 ' A' ' 64' ' ' LEU . 1.4 t80 79.62 -36.26 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 111.064 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.555 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -136.51 -56.86 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.555 ' N ' HG12 ' A' ' 34' ' ' VAL . 3.3 t70 -39.09 -30.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER -105.41 -67.31 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.413 1.071 . . . . 0.0 109.312 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.524 HD12 ' O ' ' A' ' 33' ' ' PHE . 78.5 mt -42.44 -54.86 3.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 t70 68.92 11.46 8.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.279 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.707 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -93.62 -13.73 8.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.577 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 12.5 t0 88.38 -171.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.9 p -90.8 -1.44 57.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.561 1.163 . . . . 0.0 109.976 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.95 -68.06 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.768 ' OG ' HG12 ' A' ' 19' ' ' VAL . 9.8 t -63.62 -47.22 82.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.992 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.458 ' SD ' ' CE2' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -48.39 -33.64 9.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -61.84 -33.94 60.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.441 1.088 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.573 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -73.5 -54.27 8.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 110.326 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.492 HG13 ' CG2' ' A' ' 19' ' ' VAL . 3.2 mt -40.41 -46.08 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.698 ' HB1' ' OE2' ' A' ' 52' ' ' GLU . . . -71.41 -46.11 61.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.573 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -48.51 -27.38 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.559 1.162 . . . . 0.0 109.247 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.449 ' HB2' HD13 ' A' ' 15' ' ' ILE . 32.7 mt-30 -87.7 -60.35 1.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.272 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.552 HG22 HG21 ' A' ' 57' ' ' VAL . 1.1 m -51.66 -38.89 56.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.354 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.795 ' HA ' HG22 ' A' ' 57' ' ' VAL . 20.1 mt-10 -73.84 -2.97 25.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.102 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.32 -63.76 1.4 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' GLN . 23.3 mttt -44.0 -40.85 5.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.527 ' HB3' HG13 ' A' ' 57' ' ' VAL . 0.9 OUTLIER -104.18 -43.47 5.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 110.977 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 102.95 7.12 44.84 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.523 1.139 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.795 HG22 ' HA ' ' A' ' 52' ' ' GLU . 15.3 m -43.62 149.74 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.784 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.28 97.22 9.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.152 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.775 HD11 HG12 ' A' ' 77' ' ' ILE . 45.8 mt -146.78 74.62 12.25 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 169.83 21.75 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.494 1.787 . . . . 0.0 111.038 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.25 -40.51 77.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -53.37 -19.18 3.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.613 ' OD1' ' CE2' ' A' ' 76' ' ' TYR . 0.3 OUTLIER -112.39 -34.79 5.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.231 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.635 HD11 ' HZ ' ' A' ' 33' ' ' PHE . 0.8 OUTLIER -60.42 -15.48 26.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.67 -36.89 59.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.25 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -78.7 -47.31 7.96 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.904 ' HB3' HG22 ' A' ' 73' ' ' VAL . 26.8 mt -39.45 119.6 0.96 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 0.788 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.74 -37.92 4.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.258 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.788 HG22 ' HA ' ' A' ' 32' ' ' SER . 42.8 p -135.67 168.99 18.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 110.374 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.539 ' O ' HG23 ' A' ' 74' ' ' VAL . 12.4 t -52.26 -53.7 17.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -44.34 -37.71 4.81 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.48 1.112 . . . . 0.0 110.972 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.561 ' C ' HD22 ' A' ' 67' ' ' LEU . 8.4 t0 -80.64 -38.45 29.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 0.784 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.904 HG22 ' HB3' ' A' ' 67' ' ' LEU . 35.2 t -70.06 -15.55 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.251 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 1.045 HG13 ' CD1' ' A' ' 8' ' ' ILE . 96.7 t -97.27 -55.11 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.582 1.176 . . . . 0.0 109.236 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.662 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -48.92 -54.8 13.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.244 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.902 ' CD2' HD21 ' A' ' 67' ' ' LEU . 1.8 m-30 -43.4 -28.39 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.775 HG12 HD11 ' A' ' 59' ' ' ILE . 1.8 mt -80.4 -76.24 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.354 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 81' ' ' GLU . 53.1 mt-30 -49.69 -53.33 25.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 110.236 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.52 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 0.8 OUTLIER -41.36 -42.28 2.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.91 -46.62 83.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 78' ' ' GLN . 0.6 OUTLIER -71.66 -18.53 62.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 110.269 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 81' ' ' GLU . 14.3 mt-10 82.92 90.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.25 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -129.6 -69.98 0.66 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.418 1.074 . . . . 0.0 110.268 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -112.2 95.8 32.07 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 52.22 2.98 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.519 1.8 . . . . 0.0 111.033 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -127.91 -64.83 0.94 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.538 1.149 . . . . 0.0 110.384 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.713 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . . . -169.59 -63.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.662 ' HB2' ' HB2' ' A' ' 75' ' ' ALA . . . -177.25 -167.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.648 ' H ' HE21 ' A' ' 89' ' ' GLN . 0.0 OUTLIER -85.39 123.46 30.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.427 1.079 . . . . 0.0 110.333 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.599 ' HB3' ' O ' ' A' ' 89' ' ' GLN . . . 76.89 25.52 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.782 HD22 ' C ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -71.76 139.24 48.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -177.91 46.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.604 ' HB2' ' HB3' ' A' ' 99' ' ' ASN . . . -141.27 -71.58 0.35 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -131.63 172.49 12.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 39.2 mm -94.32 -52.07 10.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.49 1.118 . . . . 0.0 109.368 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.89 -9.88 54.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.15 -152.58 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.008 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.468 ' HG3' ' HB3' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -164.85 163.94 21.04 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.536 1.147 . . . . 0.0 110.381 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.604 ' HB3' ' HB2' ' A' ' 93' ' ' ALA . 1.3 t-20 -178.58 102.72 0.2 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 56.22 4.22 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -168.95 124.77 0.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -151.08 38.71 0.66 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 2.4 t -125.92 156.25 35.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -166.35 46.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -44.37 165.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.248 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.489 HG12 ' N ' ' A' ' 107' ' ' GLN . 14.8 t -122.09 169.85 12.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.489 ' N ' HG12 ' A' ' 106' ' ' VAL . 45.9 tt0 -179.55 90.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -175.96 45.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.359 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.07 55.95 1.31 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.52 1.138 . . . . 0.0 110.32 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 63.8 tp -131.71 142.14 49.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.578 1.174 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -141.43 97.49 3.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 110.347 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -140.5 104.66 4.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.3 -64.71 0.22 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.0 110.278 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 54.07 171.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.113 . . . . 0.0 109.993 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 17.5 tptp . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 109.239 -179.953 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.481 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 2.7 mtt . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.507 0.194 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.1 Cg_endo -75.06 -162.69 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.57 1.826 . . . . 0.0 111.034 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.556 ' O ' HG13 ' A' ' 3' ' ' VAL . 5.1 p -153.66 42.09 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.637 HG23 ' N ' ' A' ' 5' ' ' GLN . 0.4 OUTLIER -77.54 178.88 6.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.44 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.637 ' N ' HG23 ' A' ' 4' ' ' THR . 2.8 tp-100 -48.14 -69.96 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.7 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -48.44 -21.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.36 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.449 ' HB2' ' N ' ' A' ' 4' ' ' THR . 1.0 OUTLIER -74.57 -46.94 35.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 110.291 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 1.073 ' CD1' HG13 ' A' ' 74' ' ' VAL . 6.0 mt -88.14 -3.54 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.545 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.9 mt -105.15 -42.01 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.7 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -92.74 -36.04 13.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.34 -42.99 72.46 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.415 ' HB ' ' O ' ' A' ' 8' ' ' ILE . 0.8 OUTLIER -75.22 -53.38 16.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 109.343 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.545 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -42.53 -45.96 4.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -58.9 -44.86 91.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.579 1.174 . . . . 0.0 110.282 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 12' ' ' ILE . 14.4 mt -66.06 -42.58 91.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.474 HG23 ' OG1' ' A' ' 20' ' ' THR . 5.6 mt -53.58 -34.36 23.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.426 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 0.7 OUTLIER -73.12 -0.03 12.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.16 . . . . 0.0 110.28 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -105.35 -45.01 4.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.424 1.077 . . . . 0.0 110.41 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.778 HG12 ' OG ' ' A' ' 43' ' ' SER . 2.8 t -83.42 -67.62 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.6 1.188 . . . . 0.0 109.354 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.488 HG23 HD11 ' A' ' 47' ' ' ILE . 70.3 p -74.4 -22.82 58.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.59 1.181 . . . . 0.0 110.414 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.61 23.47 77.85 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.557 1.16 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.469 HG22 ' N ' ' A' ' 23' ' ' GLU . 48.8 mt -83.01 163.56 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.462 0.742 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.469 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -67.95 154.32 93.9 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.355 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -49.35 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.485 1.781 . . . . 0.0 111.049 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.47 -23.47 64.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 109.946 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.457 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 26.2 tt0 -61.35 -42.41 98.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.251 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.482 ' N ' ' CD1' ' A' ' 27' ' ' ILE . 0.6 OUTLIER -64.85 137.62 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.422 ' C ' ' H ' ' A' ' 30' ' ' GLU . 1.5 p -147.93 164.46 22.23 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.408 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.471 ' HB3' HD11 ' A' ' 9' ' ' ILE . 18.7 Cg_endo -74.93 43.05 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.537 1.809 . . . . 0.0 111.038 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.422 ' H ' ' C ' ' A' ' 28' ' ' THR . 4.1 pt-20 -140.31 8.74 2.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.428 ' HB2' HG23 ' A' ' 70' ' ' VAL . 0.9 OUTLIER -68.75 164.63 21.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.591 1.182 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.83 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -127.02 12.31 7.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.384 1.053 . . . . 0.0 109.981 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.556 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.1 t80 79.36 -31.5 0.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 110.965 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.56 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -140.15 -57.73 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.56 ' N ' HG12 ' A' ' 34' ' ' VAL . 13.6 t0 -38.78 -31.02 0.05 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -107.16 -66.78 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.462 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 71.6 mt -43.52 -53.89 5.24 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER 65.72 16.35 10.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.699 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -99.7 -14.52 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.564 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 2.3 t70 87.14 -170.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.8 p -90.08 4.75 49.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 110.037 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.51 -69.83 0.34 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.778 ' OG ' HG12 ' A' ' 19' ' ' VAL . 21.8 t -62.7 -48.06 80.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.965 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.462 ' SD ' ' CD1' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -48.27 -31.9 6.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 111.021 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.2 t -64.13 -31.93 55.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.355 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.495 ' CB ' HG11 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -75.77 -54.47 6.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.309 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.501 HG13 ' CG2' ' A' ' 19' ' ' VAL . 3.5 mt -41.68 -40.76 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.496 1.122 . . . . 0.0 109.239 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.99 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -75.53 -49.7 17.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.44 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -47.51 -26.6 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 54' ' ' LYS . 33.9 mt-30 -87.8 -59.72 2.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -51.27 -39.75 57.43 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.99 ' OE1' ' HB1' ' A' ' 48' ' ' ALA . 4.9 mt-10 -74.35 -0.46 17.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.369 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.7 -64.69 1.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.258 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 50' ' ' GLN . 7.7 mtpp -44.65 -41.39 6.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.41 ' OH ' ' CD ' ' A' ' 7' ' ' GLU . 1.2 m-85 -104.4 -45.99 4.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 98.08 34.18 5.49 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.527 HG22 ' HA ' ' A' ' 52' ' ' GLU . 5.4 m -70.91 157.95 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.606 0.827 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.61 98.75 10.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.841 HD11 ' CD1' ' A' ' 77' ' ' ILE . 28.5 mt -150.76 69.13 8.5 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 169.47 22.54 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.527 1.804 . . . . 0.0 111.021 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.07 -40.32 67.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -50.82 -21.66 1.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.506 ' OD1' ' CE2' ' A' ' 76' ' ' TYR . 0.6 OUTLIER -114.38 -34.86 5.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.57 HD13 ' O ' ' A' ' 64' ' ' LEU . 0.9 OUTLIER -58.69 -16.99 18.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.362 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.33 -42.28 37.31 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.71 -43.08 37.02 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.937 HD13 HG13 ' A' ' 73' ' ' VAL . 19.3 mt -39.57 117.03 0.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 0.766 . . . . 0.0 109.298 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.33 -40.05 4.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.301 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.83 HG22 ' HA ' ' A' ' 32' ' ' SER . 43.1 p -136.57 168.71 18.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 110.454 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.821 ' O ' HG23 ' A' ' 74' ' ' VAL . 11.5 t -51.27 -47.91 33.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -50.48 -37.88 33.76 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.539 1.15 . . . . 0.0 111.004 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.456 ' C ' HD22 ' A' ' 67' ' ' LEU . 4.4 t0 -80.05 -35.68 36.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.756 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.937 HG13 HD13 ' A' ' 67' ' ' LEU . 21.0 t -73.52 -15.2 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.362 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 1.073 HG13 ' CD1' ' A' ' 8' ' ' ILE . 95.9 t -96.41 -58.14 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 1.072 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -46.0 -56.1 5.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.837 ' CD2' HD21 ' A' ' 67' ' ' LEU . 1.6 m-30 -42.42 -27.8 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.841 ' CD1' HD11 ' A' ' 59' ' ' ILE . 4.4 mt -82.83 -76.48 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 82' ' ' GLU . 36.9 mt-30 -49.57 -53.86 21.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.257 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.652 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 2.3 mmmp? -40.84 -49.66 3.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.29 -43.76 95.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.265 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 78' ' ' GLN . 6.9 mm-40 -70.38 -21.85 62.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 110.245 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 78' ' ' GLN . 13.5 mt-10 81.71 89.19 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -134.63 -68.23 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.34 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -116.06 86.15 16.39 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 53.93 3.47 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.541 1.811 . . . . 0.0 110.949 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.616 ' O ' ' HB2' ' A' ' 87' ' ' ALA . 2.4 tp10 -125.46 -62.81 1.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 110.285 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.683 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . . . 168.66 58.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 1.072 ' HB2' ' HB2' ' A' ' 75' ' ' ALA . . . 60.72 -165.01 0.22 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.544 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 1.2 mp0 -105.96 68.83 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' A' ' 89' ' ' GLN . . . 173.42 56.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.743 HD22 ' C ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -138.4 143.21 39.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -176.16 46.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.344 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -177.66 -65.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -126.32 134.7 51.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.087 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.9 mp -56.53 -62.42 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 109.254 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 98' ' ' GLU . 0.8 OUTLIER -69.34 -66.75 0.54 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.237 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.1 m -67.91 68.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.025 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 96' ' ' GLU . 41.6 mt-10 -58.83 130.32 46.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.357 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -40.85 101.08 0.23 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 55.76 4.09 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.528 1.804 . . . . 0.0 110.953 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.668 ' O ' ' HB3' ' A' ' 102' ' ' ALA . 1.3 t70 -171.22 -55.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' A' ' 101' ' ' ASP . . . 82.17 38.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.702 HG13 ' N ' ' A' ' 104' ' ' ALA . 1.1 p -131.66 -158.64 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.702 ' N ' HG13 ' A' ' 103' ' ' VAL . . . 174.73 53.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 39.3 p30 172.87 150.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.754 HG13 ' N ' ' A' ' 107' ' ' GLN . 1.5 p -122.8 -153.35 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.378 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.754 ' N ' HG13 ' A' ' 106' ' ' VAL . 25.0 tt0 -179.2 148.7 0.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 110.31 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 107' ' ' GLN . . . 83.6 26.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.234 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.97 58.3 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 58.7 tp -137.83 138.5 39.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -148.58 109.81 4.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -145.21 72.21 1.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 174.92 57.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 65.6 m -118.31 108.03 14.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 110.02 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.8 tptp . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.484 0.183 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -174.84 2.09 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.467 1.772 . . . . 0.0 110.961 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.455 HG22 ' H ' ' A' ' 4' ' ' THR . 4.0 p -84.86 169.58 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.544 HG23 ' N ' ' A' ' 5' ' ' GLN . 0.3 OUTLIER -178.42 172.81 1.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.454 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.544 ' N ' HG23 ' A' ' 4' ' ' THR . 2.9 tp-100 -49.76 -70.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.345 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.731 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -49.37 -20.96 0.76 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.083 . . . . 0.0 110.321 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.7 -42.78 57.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.261 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 1.037 HD12 HG13 ' A' ' 74' ' ' VAL . 6.0 mt -93.52 -4.3 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.558 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.9 mt -105.05 -40.73 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.731 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -93.89 -34.35 13.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.95 -40.61 62.74 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.462 1.102 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.463 HD11 HG21 ' A' ' 51' ' ' THR . 1.1 mt -78.67 -53.38 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.451 0.736 . . . . 0.0 109.242 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -42.4 -47.51 4.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -58.67 -47.03 85.88 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.57 1.169 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.448 HG23 ' OE1' ' A' ' 50' ' ' GLN . 30.2 mt -62.96 -41.99 94.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.174 . . . . 0.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.43 ' CG2' ' OG1' ' A' ' 20' ' ' THR . 5.6 mt -53.78 -34.23 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -73.51 0.55 12.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.254 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -106.21 -43.71 4.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.226 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.773 HG12 ' OG ' ' A' ' 43' ' ' SER . 2.6 t -84.39 -66.55 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.67 HG23 HD11 ' A' ' 47' ' ' ILE . 65.8 p -75.39 -26.96 58.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.365 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.09 20.99 74.8 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.516 HG22 ' N ' ' A' ' 23' ' ' GLU . 49.1 mt -80.88 166.95 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.557 0.798 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.516 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -70.6 151.34 95.47 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.254 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -50.1 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.484 1.781 . . . . 0.0 110.961 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.01 -25.48 67.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 110.042 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.416 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 18.2 tt0 -62.22 -43.98 97.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.333 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.448 HD13 ' O ' ' A' ' 23' ' ' GLU . 0.6 OUTLIER -62.24 138.6 22.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.361 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.426 ' C ' ' H ' ' A' ' 30' ' ' GLU . 0.8 OUTLIER -151.15 166.18 15.69 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.394 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.475 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 18.1 Cg_endo -75.06 42.48 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 0.0 110.944 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.426 ' H ' ' C ' ' A' ' 28' ' ' THR . 3.2 mm-40 -137.56 6.59 2.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.349 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.47 ' O ' HG22 ' A' ' 69' ' ' THR . 0.8 OUTLIER -67.42 164.43 18.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.103 . . . . 0.0 109.326 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.693 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -126.03 14.16 7.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.573 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.5 t80 80.39 -37.46 0.15 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.545 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -137.55 -56.11 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.545 ' N ' HG12 ' A' ' 34' ' ' VAL . 11.2 t0 -38.13 -31.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -106.17 -67.63 0.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.414 HD12 ' O ' ' A' ' 33' ' ' PHE . 91.0 mt -42.93 -53.68 4.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.9 OUTLIER 65.24 15.51 10.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.649 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -96.73 -15.78 7.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.569 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 3.4 t70 88.18 -170.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.5 p -90.1 1.01 56.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.028 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.02 -70.25 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.773 ' OG ' HG12 ' A' ' 19' ' ' VAL . 14.6 t -63.0 -46.36 88.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.018 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.33 -32.15 10.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.2 t -63.13 -34.1 64.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.522 ' CB ' HG11 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -73.51 -54.95 7.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.093 . . . . 0.0 110.286 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.67 HD11 HG23 ' A' ' 20' ' ' THR . 3.9 mt -43.93 -37.59 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.26 -47.19 18.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -47.61 -28.02 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 54' ' ' LYS . 39.0 mt-30 -88.09 -59.61 2.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.411 1.069 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.463 HG21 HD11 ' A' ' 12' ' ' ILE . 2.3 m -51.85 -37.77 53.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.403 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.527 ' HA ' HG22 ' A' ' 57' ' ' VAL . 24.1 mt-10 -75.31 -2.69 29.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.632 1.208 . . . . 0.0 110.347 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.48 -62.55 1.57 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' GLN . 6.5 mtpp -42.7 -40.78 2.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 0.0 109.323 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.576 ' HB3' HG13 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -103.68 -38.84 6.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.42 31.26 9.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.576 HG13 ' HB3' ' A' ' 55' ' ' TYR . 30.8 m -75.34 152.46 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 0.771 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.5 108.83 21.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.641 HG22 HD23 ' A' ' 64' ' ' LEU . 4.5 mt -144.3 63.87 11.67 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 59' ' ' ILE . 18.4 Cg_endo -75.0 173.22 14.89 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.49 1.784 . . . . 0.0 111.04 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.421 ' C ' ' N ' ' A' ' 63' ' ' ASP . 0.4 OUTLIER -52.43 -39.59 61.19 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -41.97 -27.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.295 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.702 ' CB ' ' CE2' ' A' ' 76' ' ' TYR . 0.2 OUTLIER -120.57 -45.41 2.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.259 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.641 HD23 HG22 ' A' ' 59' ' ' ILE . 0.8 OUTLIER -46.1 -26.07 0.69 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.276 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.41 -43.64 63.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . -74.77 -47.09 15.53 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.562 1.164 . . . . 0.0 110.964 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.955 ' HB3' HG22 ' A' ' 73' ' ' VAL . 27.2 mt -39.29 128.21 1.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.97 -48.01 2.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 110.23 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.813 ' O ' HG23 ' A' ' 73' ' ' VAL . 73.5 p -125.63 168.88 13.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.409 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.825 ' O ' HG23 ' A' ' 74' ' ' VAL . 14.4 t -51.22 -44.09 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -54.88 -33.58 56.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.803 ' O ' HD22 ' A' ' 67' ' ' LEU . 7.3 t0 -85.31 -28.73 25.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.267 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.955 HG22 ' HB3' ' A' ' 67' ' ' LEU . 14.2 t -82.87 -13.5 12.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.422 1.077 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 1.037 HG13 HD12 ' A' ' 8' ' ' ILE . 90.0 t -97.33 -51.54 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.747 ' HB2' ' CB ' ' A' ' 88' ' ' ALA . . . -44.03 -58.13 2.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.702 ' CE2' ' CB ' ' A' ' 63' ' ' ASP . 7.8 t80 -46.33 -25.04 0.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 111.028 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.681 HD12 HD13 ' A' ' 8' ' ' ILE . 4.8 mt -80.05 -75.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 79' ' ' LYS . 40.2 mt-30 -54.35 -52.32 61.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.539 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 10.4 mmmt -38.94 -48.61 1.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.196 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.55 -52.06 11.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.435 1.084 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.12 -64.64 0.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -111.53 -98.22 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.246 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -154.17 -71.89 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.4 t30 69.96 67.96 0.42 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 54.13 3.54 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.564 1.823 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.64 ' O ' HD12 ' A' ' 95' ' ' ILE . 3.4 tp10 -138.68 -63.55 0.54 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.464 ' HB2' ' HG ' ' A' ' 91' ' ' LEU . . . -178.66 -83.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.222 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.747 ' CB ' ' HB2' ' A' ' 75' ' ' ALA . . . -179.41 41.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.376 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.658 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 28.7 mt-30 68.54 132.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.263 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.658 ' HB3' ' O ' ' A' ' 89' ' ' GLN . . . 82.26 47.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.945 HD21 ' O ' ' A' ' 94' ' ' LYS . 0.6 OUTLIER -130.56 119.69 22.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.544 ' N ' HD13 ' A' ' 91' ' ' LEU . 0.4 OUTLIER -159.43 54.57 0.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.25 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -173.1 -64.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.945 ' O ' HD21 ' A' ' 91' ' ' LEU . 10.3 mttm -139.15 134.29 32.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.64 HD12 ' O ' ' A' ' 86' ' ' GLU . 28.6 mm -59.43 -82.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -42.79 -60.24 1.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.25 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.3 m -68.76 69.96 0.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.504 ' HG2' HD23 ' A' ' 91' ' ' LEU . 38.8 mt-10 -54.72 138.66 41.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.335 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 178.69 135.06 0.24 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.428 ' O ' ' O ' ' A' ' 101' ' ' ASP . 18.5 Cg_endo -74.95 73.69 4.22 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.525 1.803 . . . . 0.0 111.027 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.428 ' O ' ' O ' ' A' ' 100' ' ' PRO . 2.1 t70 60.61 143.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.589 1.181 . . . . 0.0 109.249 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.529 ' O ' HG12 ' A' ' 103' ' ' VAL . . . -175.22 49.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.771 HG22 ' H ' ' A' ' 104' ' ' ALA . 2.5 p 44.64 -167.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.356 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.771 ' H ' HG22 ' A' ' 103' ' ' VAL . . . -160.87 -57.02 0.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 109.35 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -52.09 143.56 13.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 109.345 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -128.34 -179.86 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -165.57 108.6 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.334 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -172.08 47.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -143.33 71.52 1.34 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.536 1.147 . . . . 0.0 110.299 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 12.8 tp -93.53 147.15 23.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -150.24 105.56 3.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -133.25 168.09 19.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.279 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 76.45 22.66 1.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 110.296 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 71.5 m -120.44 125.82 48.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.046 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mtt . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.464 0.173 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 3' ' ' VAL . 18.1 Cg_endo -75.02 169.05 23.48 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.468 1.773 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.468 ' CG1' ' HG2' ' A' ' 78' ' ' GLN . 0.3 OUTLIER -39.94 145.79 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -170.83 164.81 7.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.426 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.427 ' O ' ' N ' ' A' ' 9' ' ' ILE . 3.0 tp-100 -43.11 -73.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.72 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -48.89 -21.91 0.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.334 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 5' ' ' GLN . 1.6 mm-40 -74.96 -42.2 58.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.52 1.137 . . . . 0.0 110.266 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 1.072 ' CD1' HG13 ' A' ' 74' ' ' VAL . 4.1 mt -93.7 -3.77 10.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 109.339 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.532 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.5 mt -105.94 -40.94 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -93.39 -35.05 13.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.248 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.72 -40.17 65.69 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.47 1.106 . . . . 0.0 110.985 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -78.14 -53.21 14.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.436 0.727 . . . . 0.0 109.36 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.532 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -42.65 -48.29 5.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.55 -45.95 84.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.272 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.3 mt -64.16 -43.56 97.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.39 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.44 HG22 ' HB ' ' A' ' 22' ' ' ILE . 4.8 mt -53.31 -34.87 23.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.409 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 0.8 OUTLIER -73.38 0.33 12.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.597 1.186 . . . . 0.0 110.297 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -106.31 -45.74 4.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.888 HG12 ' OG ' ' A' ' 43' ' ' SER . 2.8 t -82.76 -67.6 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.83 HG23 HD11 ' A' ' 47' ' ' ILE . 36.6 p -73.21 -28.13 62.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 110.395 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.49 22.61 66.95 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.494 HG22 ' N ' ' A' ' 23' ' ' GLU . 44.2 mt -82.7 165.63 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.247 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.494 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -69.55 151.79 96.52 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -49.29 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.428 1.752 . . . . 0.0 110.966 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.13 -23.97 65.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.995 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.424 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 17.3 tt0 -62.5 -43.83 97.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.231 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.45 ' N ' ' CD1' ' A' ' 27' ' ' ILE . 0.7 OUTLIER -62.99 132.58 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.43 ' C ' ' H ' ' A' ' 30' ' ' GLU . 0.8 OUTLIER -147.25 166.23 16.73 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.431 1.082 . . . . 0.0 110.406 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.411 ' HD2' ' HB ' ' A' ' 28' ' ' THR . 18.2 Cg_endo -75.01 42.22 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.536 1.809 . . . . 0.0 111.036 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.43 ' H ' ' C ' ' A' ' 28' ' ' THR . 1.7 mt-10 -137.56 6.66 2.75 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.495 1.122 . . . . 0.0 110.258 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.53 ' O ' HG22 ' A' ' 69' ' ' THR . 0.8 OUTLIER -70.64 164.62 24.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.627 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -124.16 13.99 9.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.99 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.578 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.3 t80 80.72 -37.1 0.13 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.544 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -137.74 -56.09 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.544 ' N ' HG12 ' A' ' 34' ' ' VAL . 3.3 t70 -37.64 -32.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -105.75 -67.56 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.443 HD12 ' O ' ' A' ' 33' ' ' PHE . 70.6 mt -41.32 -53.71 3.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 65.35 14.64 9.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.635 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -95.75 -20.78 5.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.588 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 6.9 t0 89.27 -170.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.8 p -88.48 3.19 51.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 110.083 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.73 -70.77 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.419 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.888 ' OG ' HG12 ' A' ' 19' ' ' VAL . 1.7 t -64.95 -45.8 84.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.55 1.156 . . . . 0.0 110.036 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.418 ' SD ' ' CE1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -50.19 -34.5 22.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.953 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -59.34 -37.01 67.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.47 ' CB ' HG11 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -72.44 -54.19 10.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.145 . . . . 0.0 110.319 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.83 HD11 HG23 ' A' ' 20' ' ' THR . 3.2 mt -44.03 -34.98 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.701 ' HB1' ' OE2' ' A' ' 52' ' ' GLU . . . -81.92 -46.67 13.73 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.44 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -50.31 -24.34 2.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 109.289 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 54' ' ' LYS . 38.6 mt-30 -91.14 -59.99 2.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.4 m -51.93 -37.77 53.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.421 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.816 ' HA ' HG22 ' A' ' 57' ' ' VAL . 14.4 mt-10 -76.25 -2.38 31.11 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.441 1.088 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.53 -62.0 1.66 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' GLN . 1.8 mtpp -41.69 -42.02 2.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.417 1.073 . . . . 0.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -104.89 -50.3 3.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 111.039 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 110.06 18.67 8.6 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.453 1.096 . . . . 0.0 111.03 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.816 HG22 ' HA ' ' A' ' 52' ' ' GLU . 12.9 m -54.06 149.07 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 0.748 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.81 102.74 13.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.602 HD11 ' CG1' ' A' ' 77' ' ' ILE . 49.8 mt -143.81 73.3 16.87 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.05 170.85 19.5 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.464 1.771 . . . . 0.0 110.945 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.411 ' C ' ' N ' ' A' ' 63' ' ' ASP . 0.2 OUTLIER -56.45 -40.15 74.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.69 -24.46 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.68 ' CB ' ' CE2' ' A' ' 76' ' ' TYR . 0.2 OUTLIER -115.7 -39.81 3.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.27 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.518 HD23 HG22 ' A' ' 59' ' ' ILE . 0.7 OUTLIER -53.35 -20.91 4.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.82 -41.76 59.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -76.29 -45.96 13.67 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.43 1.081 . . . . 0.0 110.963 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.869 ' HB3' HG22 ' A' ' 73' ' ' VAL . 19.3 mt -39.57 118.51 0.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 0.751 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.69 -38.97 5.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.841 ' O ' HG23 ' A' ' 73' ' ' VAL . 45.4 p -131.63 169.84 15.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 110.421 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.512 HG12 ' CG2' ' A' ' 74' ' ' VAL . 7.7 t -56.44 -51.16 68.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.262 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -44.55 -32.76 2.97 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.52 1.137 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.463 ' C ' HD22 ' A' ' 67' ' ' LEU . 4.8 t0 -86.52 -34.65 19.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.869 HG22 ' HB3' ' A' ' 67' ' ' LEU . 16.7 t -76.8 -11.29 13.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.385 1.053 . . . . 0.0 109.382 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 1.072 HG13 ' CD1' ' A' ' 8' ' ' ILE . 74.8 t -100.61 -57.64 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.793 ' HB1' ' CD ' ' A' ' 79' ' ' LYS . . . -45.27 -54.61 6.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 109.36 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.68 ' CE2' ' CB ' ' A' ' 63' ' ' ASP . 2.2 t80 -47.83 -24.1 0.91 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.786 HD12 HD13 ' A' ' 8' ' ' ILE . 12.2 mt -84.11 -68.16 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.468 ' HG2' ' CG1' ' A' ' 3' ' ' VAL . 69.8 mt-30 -59.11 -60.18 4.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.793 ' CD ' ' HB1' ' A' ' 75' ' ' ALA . 1.7 mtpt -42.46 -37.28 1.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.449 HD23 ' O ' ' A' ' 76' ' ' TYR . 0.4 OUTLIER -59.1 -48.5 81.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 78' ' ' GLN . 1.4 mm-40 -71.38 -82.3 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 169.33 88.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.253 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -136.85 -72.98 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -126.84 72.13 75.03 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.447 1.092 . . . . 0.0 109.363 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.407 ' HA ' ' HE2' ' A' ' 79' ' ' LYS . 18.1 Cg_endo -74.95 52.19 2.97 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.492 1.785 . . . . 0.0 110.996 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -142.57 -54.96 0.42 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 110.323 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.431 ' O ' ' O ' ' A' ' 88' ' ' ALA . . . -161.27 126.98 3.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 109.224 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.61 ' HB2' ' HB2' ' A' ' 75' ' ' ALA . . . -42.27 164.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.382 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.672 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 0.5 OUTLIER -80.71 86.36 5.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.384 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.672 ' HB2' ' O ' ' A' ' 89' ' ' GLN . . . 163.89 45.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.343 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.674 HD22 ' C ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -137.08 147.55 46.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.329 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.23 46.05 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 0.0 110.335 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -170.31 -69.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.65 175.19 5.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.443 ' N ' HD12 ' A' ' 95' ' ' ILE . 3.2 mp -79.88 -58.88 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.62 -76.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 110.281 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.21 124.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 110.033 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -114.13 -55.11 2.53 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.559 1.162 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 173.57 124.09 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.465 ' HB3' ' CA ' ' A' ' 90' ' ' ALA . 18.1 Cg_endo -74.97 -6.73 18.45 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.492 1.785 . . . . 0.0 110.964 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -168.18 125.22 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -162.79 41.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.38 1.05 . . . . 0.0 109.338 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.604 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 3.1 t -136.84 163.03 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.25 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.723 ' O ' HG23 ' A' ' 106' ' ' VAL . . . 77.94 31.47 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.507 ' ND2' ' O ' ' A' ' 105' ' ' ASN . 2.1 p-10 -56.51 89.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 104' ' ' ALA . 19.9 t -124.64 170.57 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.673 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.0 OUTLIER -134.78 -155.08 0.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 110.315 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 107' ' ' GLN . . . 81.84 39.47 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -111.68 46.75 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.241 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 41.0 tp -126.61 145.89 50.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -138.74 111.54 7.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -166.13 125.5 1.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -162.87 -60.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.341 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.1 m 56.2 165.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.974 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.1 tttp . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.257 -179.899 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.8 mtt . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.559 0.219 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 177.06 9.07 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.51 1.795 . . . . 0.0 111.005 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.698 ' O ' HG13 ' A' ' 3' ' ' VAL . 8.0 p -127.61 97.34 3.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.133 . . . . 0.0 109.365 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.0 t -88.17 -175.86 5.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.107 . . . . 0.0 110.444 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -58.61 -64.12 1.04 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.571 1.169 . . . . 0.0 110.32 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.783 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -51.99 -18.47 1.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.073 . . . . 0.0 110.333 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.42 -44.1 46.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.887 HG21 HG22 ' A' ' 74' ' ' VAL . 5.8 mt -92.92 -4.23 10.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.551 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.7 mt -105.37 -41.67 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.597 1.186 . . . . 0.0 109.23 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.783 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -92.96 -34.78 13.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.565 1.166 . . . . 0.0 109.36 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.37 -39.54 70.12 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.546 1.154 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.1 mt -79.66 -53.48 13.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 0.764 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.551 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -42.46 -47.0 4.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -59.64 -46.02 90.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.354 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.459 HG22 ' CG1' ' A' ' 47' ' ' ILE . 26.5 mt -63.45 -40.49 89.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.53 ' HA ' HD11 ' A' ' 47' ' ' ILE . 5.0 mt -57.16 -34.7 46.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.499 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 1.3 tm-20 -75.09 -0.3 18.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.259 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -104.58 -45.22 4.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 110.271 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.867 HG12 ' OG ' ' A' ' 43' ' ' SER . 2.5 t -83.51 -68.18 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.827 HG22 ' HB3' ' A' ' 43' ' ' SER . 19.8 p -72.01 -27.36 62.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.557 1.16 . . . . 0.0 110.418 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.57 21.63 68.9 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.549 1.156 . . . . 0.0 111.062 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.53 HG22 ' N ' ' A' ' 23' ' ' GLU . 44.2 mt -81.53 167.2 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.53 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -71.6 151.58 93.69 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.286 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.403 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 18.3 Cg_endo -75.02 -49.33 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.487 1.782 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.52 -23.5 65.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.971 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.447 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 19.8 tt0 -62.76 -43.45 98.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.339 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.589 ' O ' HG23 ' A' ' 28' ' ' THR . 0.7 OUTLIER -62.7 142.21 16.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.26 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.589 HG23 ' O ' ' A' ' 27' ' ' ILE . 0.8 OUTLIER -156.88 166.39 16.73 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 0.0 110.389 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 43.07 0.92 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.473 1.775 . . . . 0.0 111.027 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.419 ' H ' ' C ' ' A' ' 28' ' ' THR . 2.6 mm-40 -137.11 6.19 2.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.224 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.659 ' O ' HG22 ' A' ' 69' ' ' THR . 0.4 OUTLIER -67.81 167.68 12.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.566 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -132.93 20.28 4.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.995 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.675 ' CZ ' HD11 ' A' ' 64' ' ' LEU . 0.5 OUTLIER 80.09 -40.12 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.905 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.49 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.0 OUTLIER -138.23 -54.61 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.49 ' N ' HG12 ' A' ' 34' ' ' VAL . 4.9 t70 -37.96 -31.7 0.05 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER -106.67 -67.63 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.441 HD12 ' SD ' ' A' ' 44' ' ' MET . 81.9 mt -44.04 -52.52 7.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.5 OUTLIER 63.45 14.37 7.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.386 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.596 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.2 OUTLIER -93.99 -20.93 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.596 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 7.9 t0 89.58 -172.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.723 ' O ' HG23 ' A' ' 45' ' ' VAL . 83.1 p -87.8 2.83 50.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.994 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.28 -71.7 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.867 ' OG ' HG12 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -66.46 -40.42 89.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.993 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.619 ' HE1' ' CD2' ' A' ' 33' ' ' PHE . 6.3 mtm -53.13 -34.99 59.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.59 1.181 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 41' ' ' SER . 2.0 t -59.64 -38.17 74.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.586 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -69.87 -54.89 11.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 110.292 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.808 HD11 HG23 ' A' ' 20' ' ' THR . 2.4 mt -47.04 -31.01 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.975 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -84.9 -48.1 9.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.586 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -49.27 -24.24 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 54' ' ' LYS . 35.3 mt-30 -90.1 -60.41 1.94 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.343 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -51.61 -39.19 57.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.412 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.975 ' OE1' ' HB1' ' A' ' 48' ' ' ALA . 4.8 mt-10 -74.45 -2.31 24.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.599 1.187 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 54' ' ' LYS . 0.5 OUTLIER -116.15 -61.19 1.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 50' ' ' GLN . 13.0 mttt -40.11 -41.4 1.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.575 ' CE2' ' HB ' ' A' ' 3' ' ' VAL . 32.2 t80 -106.67 -47.9 3.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 106.38 26.93 5.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.845 HG22 ' HA ' ' A' ' 52' ' ' GLU . 18.7 m -63.01 149.95 9.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.479 0.753 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.34 113.82 27.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.458 HG23 HD12 ' A' ' 67' ' ' LEU . 27.2 mt -151.2 73.65 8.4 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 170.6 20.06 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.518 1.799 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.78 -40.74 80.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.226 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -50.09 -22.06 1.51 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 110.352 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.562 ' CG ' ' CZ ' ' A' ' 76' ' ' TYR . 0.1 OUTLIER -113.39 -34.07 5.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.675 HD11 ' CZ ' ' A' ' 33' ' ' PHE . 0.8 OUTLIER -58.85 -16.44 17.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.48 -26.44 60.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.253 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.08 -58.7 1.14 Allowed Glycine 0 CA--C 1.528 0.892 0 O-C-N 124.488 1.118 . . . . 0.0 110.973 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.968 HD13 ' HA ' ' A' ' 73' ' ' VAL . 11.0 mt -45.3 118.48 1.73 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.375 0.691 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.72 -56.55 2.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 110.3 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.903 ' O ' HG23 ' A' ' 73' ' ' VAL . 78.3 p -97.56 174.01 6.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.354 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.583 ' O ' HG23 ' A' ' 74' ' ' VAL . 2.5 t -64.33 -36.95 78.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.72 -20.83 68.63 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.84 ' O ' HD22 ' A' ' 67' ' ' LEU . 8.0 t0 -98.78 -30.46 12.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.782 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.968 ' HA ' HD13 ' A' ' 67' ' ' LEU . 34.3 t -84.59 -12.89 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.887 HG22 HG21 ' A' ' 8' ' ' ILE . 45.8 t -98.44 -47.15 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.766 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -44.56 -56.91 3.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 109.273 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.562 ' CZ ' ' CG ' ' A' ' 63' ' ' ASP . 5.6 t80 -49.18 -20.9 0.66 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.418 1.074 . . . . 0.0 110.989 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.514 HD12 HD13 ' A' ' 8' ' ' ILE . 3.2 mt -83.02 -67.22 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' A' ' 81' ' ' GLU . 52.2 mt-30 -65.99 -51.98 53.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.692 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 18.1 mmtm -39.67 -54.26 2.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.449 ' HB2' ' O ' ' A' ' 76' ' ' TYR . 0.2 OUTLIER -59.87 -41.28 91.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 78' ' ' GLN . 0.0 OUTLIER -55.26 -51.7 65.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.288 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.5 ' O ' ' CG ' ' A' ' 83' ' ' GLU . 1.4 pt-20 -116.04 -101.49 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 82' ' ' GLU . 37.0 mt-10 -159.37 -79.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.484 ' HB3' ' CD ' ' A' ' 79' ' ' LYS . 1.1 t-20 63.87 79.74 0.25 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 55.05 3.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.473 1.775 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.547 ' HG2' HD21 ' A' ' 91' ' ' LEU . 1.8 tp10 -139.19 -71.8 0.4 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.588 1.18 . . . . 0.0 110.277 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.622 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . . . -177.85 -72.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.766 ' HB2' ' HB2' ' A' ' 75' ' ' ALA . . . 176.15 -166.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.348 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.469 HE22 HG11 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -82.96 84.04 7.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 89' ' ' GLN . . . 179.95 -57.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.262 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.827 HD22 ' N ' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -60.93 168.02 2.59 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.448 1.093 . . . . 0.0 109.303 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.827 ' N ' HD22 ' A' ' 91' ' ' LEU . 1.5 ptt85 178.17 44.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.171 . . . . 0.0 110.311 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.421 ' HB2' ' O ' ' A' ' 92' ' ' ARG . . . 179.0 -57.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.616 ' O ' HD23 ' A' ' 91' ' ' LEU . 0.5 OUTLIER -99.3 176.76 5.42 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.553 1.158 . . . . 0.0 109.259 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.518 ' O ' ' HB2' ' A' ' 87' ' ' ALA . 1.9 mp -73.68 -71.26 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.445 ' N ' HG22 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -54.32 -78.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.64 117.6 0.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.953 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -157.46 24.48 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -41.53 101.7 0.25 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 71.58 4.93 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.506 1.793 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.602 ' O ' ' HB3' ' A' ' 102' ' ' ALA . 1.9 t0 -162.14 -67.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.602 ' HB3' ' O ' ' A' ' 101' ' ' ASP . . . 77.6 35.89 0.29 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.478 HG23 ' HB3' ' A' ' 101' ' ' ASP . 3.8 t -62.8 162.11 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -172.56 -48.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 9.6 t30 168.96 131.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.255 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.478 HG12 ' H ' ' A' ' 107' ' ' GLN . 0.8 OUTLIER -143.81 176.03 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.478 ' H ' HG12 ' A' ' 106' ' ' VAL . 61.0 tt0 -179.0 97.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -173.89 37.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.33 52.19 1.32 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.429 1.081 . . . . 0.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.45 169.12 10.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -141.39 82.12 1.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -145.93 89.35 1.88 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -147.22 -67.0 0.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 75.0 m 61.9 167.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.982 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.8 ttpp . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.352 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.574 0.226 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -163.08 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.478 1.778 . . . . 0.0 111.075 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.544 HG22 HD11 ' A' ' 8' ' ' ILE . 14.1 p -147.8 51.81 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.238 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.471 ' N ' ' HB2' ' A' ' 7' ' ' GLU . 5.5 t -77.97 -177.88 5.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 110.36 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.473 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 2.7 tp-100 -50.79 -68.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.268 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.754 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -49.6 -20.62 0.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.287 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.471 ' HB2' ' N ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -74.77 -45.88 40.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.276 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 1.039 HD12 HG13 ' A' ' 74' ' ' VAL . 5.0 mt -90.71 -2.91 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.575 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.8 mt -106.32 -42.04 6.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.754 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -92.94 -36.86 12.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.69 -42.91 78.21 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -75.6 -53.33 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.575 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -42.24 -47.05 4.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.28 -47.35 81.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.345 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.403 HG23 ' OE1' ' A' ' 50' ' ' GLN . 49.2 mt -64.57 -43.85 96.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 109.242 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.467 ' CG2' ' OG1' ' A' ' 20' ' ' THR . 7.6 mt -53.02 -36.39 24.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.498 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 4.6 tm-20 -72.01 -0.23 11.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -105.85 -45.79 4.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.358 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.829 HG12 ' OG ' ' A' ' 43' ' ' SER . 2.5 t -83.18 -68.59 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.77 HG23 HD11 ' A' ' 47' ' ' ILE . 68.4 p -70.44 -27.95 64.66 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.553 1.158 . . . . 0.0 110.368 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.92 32.82 52.31 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.471 1.107 . . . . 0.0 111.042 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.517 HG22 ' N ' ' A' ' 23' ' ' GLU . 42.1 mt -93.95 166.95 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.513 0.772 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.517 ' N ' HG22 ' A' ' 22' ' ' ILE . 1.7 mt-10 -69.42 153.08 96.15 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -50.06 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.382 1.727 . . . . 0.0 110.963 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.54 -22.27 63.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.985 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.427 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 59.7 tt0 -65.29 -49.58 68.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 110.234 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.447 HD13 ' O ' ' A' ' 23' ' ' GLU . 0.8 OUTLIER -55.38 120.34 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.401 ' O ' HG21 ' A' ' 70' ' ' VAL . 1.3 p -126.55 164.37 34.86 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.46 1.1 . . . . 0.0 110.408 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.459 ' HB3' HD11 ' A' ' 9' ' ' ILE . 18.1 Cg_endo -75.06 0.27 9.14 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.469 1.773 . . . . 0.0 110.959 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.57 3.33 52.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.99 169.82 3.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.781 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -126.42 9.29 7.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.967 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.559 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.0 OUTLIER 79.7 -36.04 0.15 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.556 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -135.94 -57.04 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.556 ' N ' HG12 ' A' ' 34' ' ' VAL . 4.3 t0 -39.63 -30.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.354 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.438 ' N ' ' C ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER -105.43 -68.15 0.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.697 HD13 ' CE ' ' A' ' 44' ' ' MET . 97.7 mt -44.52 -56.33 4.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.8 OUTLIER 70.08 15.07 7.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.787 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -94.59 -18.57 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.333 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.579 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 3.3 t70 88.96 -170.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.524 1.14 . . . . 0.0 109.238 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.702 ' O ' HG23 ' A' ' 45' ' ' VAL . 73.4 m -89.53 3.87 51.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.998 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.54 -65.89 0.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.172 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.829 ' OG ' HG12 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -63.38 -50.75 68.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.769 ' HE1' HG21 ' A' ' 20' ' ' THR . 0.3 OUTLIER -42.53 -42.89 3.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 41' ' ' SER . 2.6 t -52.88 -38.13 27.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.613 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -72.81 -53.05 12.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.77 HD11 HG23 ' A' ' 20' ' ' THR . 2.7 mt -45.92 -32.88 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.402 ' C ' ' N ' ' A' ' 50' ' ' GLN . . . -79.22 -51.36 9.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.613 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -46.98 -25.84 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.076 . . . . 0.0 109.27 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 54' ' ' LYS . 38.9 mt-30 -90.02 -59.65 2.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.557 1.161 . . . . 0.0 110.239 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.9 m -52.05 -37.02 52.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.421 1.076 . . . . 0.0 110.421 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.563 ' HA ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -77.29 0.85 20.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.348 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.45 -63.12 1.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 50' ' ' GLN . 7.4 mttp -49.07 -41.08 34.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.442 ' OH ' ' CG ' ' A' ' 7' ' ' GLU . 0.6 OUTLIER -105.08 -44.02 4.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.932 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.5 26.57 10.73 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.525 1.14 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.563 HG22 ' HA ' ' A' ' 52' ' ' GLU . 7.8 m -55.9 -172.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.474 ' HE2' ' CB ' ' A' ' 80' ' ' LEU . 0.5 OUTLIER -135.48 107.74 7.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.777 HD11 HD11 ' A' ' 77' ' ' ILE . 24.0 mt -154.79 83.9 3.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 169.23 23.05 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.542 1.812 . . . . 0.0 110.991 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.67 -40.58 97.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -55.41 -17.77 5.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.354 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.598 ' CG ' ' CE2' ' A' ' 76' ' ' TYR . 0.4 OUTLIER -111.37 -32.74 6.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.701 HD13 ' O ' ' A' ' 64' ' ' LEU . 0.6 OUTLIER -58.64 -17.11 19.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.33 -33.41 55.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -82.0 -44.1 7.83 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.919 ' HB3' HG22 ' A' ' 73' ' ' VAL . 11.5 mt -39.88 111.97 0.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 0.778 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.35 -38.12 5.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.335 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.988 ' O ' HG23 ' A' ' 73' ' ' VAL . 46.8 p -136.34 175.7 9.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.458 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.757 ' O ' HG23 ' A' ' 74' ' ' VAL . 5.3 t -57.75 -47.66 85.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -50.83 -39.13 38.84 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.511 ' C ' HD22 ' A' ' 67' ' ' LEU . 7.9 t0 -80.62 -30.71 36.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 0.782 . . . . 0.0 109.347 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.988 HG23 ' O ' ' A' ' 69' ' ' THR . 44.2 t -78.43 -13.62 13.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 1.039 HG13 HD12 ' A' ' 8' ' ' ILE . 93.5 t -97.03 -56.74 4.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 1.021 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -46.86 -56.26 6.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.904 ' CD2' HD21 ' A' ' 67' ' ' LEU . 1.9 m-30 -42.29 -28.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 110.951 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.777 HD11 HD11 ' A' ' 59' ' ' ILE . 5.3 mt -81.65 -77.42 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.414 1.071 . . . . 0.0 109.355 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 79' ' ' LYS . 45.9 mt-30 -49.33 -53.22 23.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.654 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -39.28 -52.74 1.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.361 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.474 ' CB ' ' HE2' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -69.61 -48.76 58.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -44.73 -65.32 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.348 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -109.9 -98.27 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.269 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -153.98 -73.74 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.588 1.18 . . . . 0.0 110.286 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.0 t30 63.75 73.07 0.5 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 54.81 3.74 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.447 1.761 . . . . 0.0 111.021 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' ' 87' ' ' ALA . 0.8 OUTLIER -138.98 -66.66 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 110.317 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.721 ' HB3' ' HB2' ' A' ' 91' ' ' LEU . . . 179.18 -71.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 1.021 ' HB2' ' HB2' ' A' ' 75' ' ' ALA . . . 174.74 86.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.63 ' OE1' HG11 ' A' ' 74' ' ' VAL . 1.7 pt20 30.9 56.53 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.286 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.624 ' HB2' ' O ' ' A' ' 89' ' ' GLN . . . 168.41 62.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 109.228 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.721 ' HB2' ' HB3' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -175.21 148.32 0.97 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -158.52 48.99 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.276 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -166.57 -66.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.367 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -163.59 144.06 8.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.7 mp -41.24 -65.0 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.102 . . . . 0.0 109.261 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 98' ' ' GLU . 0.8 OUTLIER -67.18 -58.67 4.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.253 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.9 m -66.27 72.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.138 . . . . 0.0 109.964 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.457 ' HG2' HD21 ' A' ' 91' ' ' LEU . 14.9 mt-10 -48.41 156.7 0.4 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.576 1.172 . . . . 0.0 110.267 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 24.3 p-10 -51.59 137.69 32.05 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.627 ' O ' HG23 ' A' ' 103' ' ' VAL . 18.5 Cg_endo -74.99 56.03 4.12 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.48 1.779 . . . . 0.0 111.022 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.583 ' O ' ' HB3' ' A' ' 102' ' ' ALA . 11.1 t0 51.72 21.22 1.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 101' ' ' ASP . . . 76.02 32.86 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 100' ' ' PRO . 47.3 t -101.95 166.9 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.203 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.515 ' N ' HG12 ' A' ' 103' ' ' VAL . . . 179.84 38.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.483 1.115 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 104' ' ' ALA . 2.6 t-20 61.26 121.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 38.0 t -119.68 -5.31 10.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.22 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.551 ' O ' ' HB2' ' A' ' 108' ' ' ALA . 21.7 tt0 177.53 125.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.288 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.551 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . 172.84 40.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.19 65.78 1.35 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 110.343 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.4 tt -64.1 147.55 51.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -140.11 101.17 4.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.343 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -120.54 145.51 47.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.253 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 179.79 53.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.376 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.72 172.5 2.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.951 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 22.7 tttt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.243 -179.928 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.412 ' N ' ' HD3' ' A' ' 2' ' ' PRO . 28.8 mtt . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.484 0.183 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.412 ' HD3' ' N ' ' A' ' 1' ' ' MET . 18.2 Cg_endo -75.0 -162.98 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.484 1.781 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.567 HG22 HD11 ' A' ' 8' ' ' ILE . 7.5 p -142.51 52.3 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.479 ' N ' ' HB2' ' A' ' 7' ' ' GLU . 1.3 t -77.36 -176.57 4.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.121 . . . . 0.0 110.444 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.467 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 2.9 tp-100 -53.21 -67.96 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.242 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.761 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -50.77 -19.83 1.08 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.442 1.089 . . . . 0.0 110.338 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.479 ' HB2' ' N ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -74.79 -44.18 50.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 1.04 ' CD1' HG13 ' A' ' 74' ' ' VAL . 5.4 mt -92.79 -3.69 10.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.482 HD11 ' HB3' ' A' ' 29' ' ' PRO . 2.8 mt -106.03 -42.84 6.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 109.201 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.761 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -91.74 -34.38 14.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.456 1.097 . . . . 0.0 109.342 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -71.09 -42.21 59.17 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 0.0 110.954 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -74.33 -53.26 17.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.506 0.768 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -42.78 -46.2 5.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -56.92 -47.89 79.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.336 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.6 mt -64.45 -42.78 96.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.0 mt -53.09 -35.85 23.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.445 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 2.0 tm-20 -72.55 0.4 10.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.356 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.0 -42.89 4.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.719 HG12 ' OG ' ' A' ' 43' ' ' SER . 2.8 t -84.82 -65.06 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.585 HG23 HD11 ' A' ' 47' ' ' ILE . 68.8 p -76.08 -25.77 55.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.387 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.55 23.4 73.17 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.618 1.198 . . . . 0.0 111.005 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.502 HG22 ' N ' ' A' ' 23' ' ' GLU . 54.8 mt -84.66 165.34 2.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 0.784 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.502 ' N ' HG22 ' A' ' 22' ' ' ILE . 3.5 mt-10 -68.36 152.93 96.25 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.329 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -49.94 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.477 1.777 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.16 -23.88 65.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.037 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.451 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 2.3 tm-20 -60.52 -41.79 95.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.316 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.487 ' N ' ' CD1' ' A' ' 27' ' ' ILE . 0.7 OUTLIER -64.59 135.36 28.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.42 ' C ' ' H ' ' A' ' 30' ' ' GLU . 1.0 OUTLIER -145.07 165.16 23.23 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 110.431 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.482 ' HB3' HD11 ' A' ' 9' ' ' ILE . 18.5 Cg_endo -74.9 43.27 0.94 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.52 1.8 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.42 ' H ' ' C ' ' A' ' 28' ' ' THR . 0.4 OUTLIER -141.11 9.32 2.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 110.322 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.443 ' O ' HG22 ' A' ' 69' ' ' THR . 0.3 OUTLIER -68.83 165.98 18.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.204 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.726 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -129.26 12.2 6.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.101 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.585 ' HA ' HD12 ' A' ' 37' ' ' LEU . 0.7 OUTLIER 78.18 -28.55 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 111.023 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.539 HG12 ' N ' ' A' ' 35' ' ' ASP . 0.9 OUTLIER -141.07 -58.56 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.539 ' N ' HG12 ' A' ' 34' ' ' VAL . 7.7 t70 -39.11 -31.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.442 ' N ' ' C ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -106.65 -65.83 1.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 33' ' ' PHE . 81.3 mt -44.98 -52.5 8.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 34' ' ' VAL . 3.7 t0 64.03 16.41 9.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.687 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -99.21 -17.03 6.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.555 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 5.6 t70 87.14 -170.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.155 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.759 ' O ' HG23 ' A' ' 45' ' ' VAL . 19.7 p -88.53 5.08 44.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 110.033 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.53 -68.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.25 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.719 ' OG ' HG12 ' A' ' 19' ' ' VAL . 23.1 t -64.67 -46.94 80.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.004 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.54 ' SD ' ' CE1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -46.7 -36.87 7.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 41' ' ' SER . 2.6 t -60.8 -33.89 57.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.607 ' CB ' HG11 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -73.04 -54.03 9.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.585 HD11 HG23 ' A' ' 20' ' ' THR . 3.8 mt -44.11 -40.71 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.855 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -72.67 -50.49 24.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 109.237 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.594 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -47.13 -26.07 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 54' ' ' LYS . 35.7 mt-30 -89.06 -59.86 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.9 m -51.65 -38.55 55.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 110.373 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.855 ' OE1' ' HB1' ' A' ' 48' ' ' ALA . 1.0 OUTLIER -74.99 -1.4 22.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.376 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.85 -63.25 1.45 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 0.0 109.334 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 50' ' ' GLN . 24.7 mttt -46.28 -42.14 14.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -103.89 -49.2 3.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.52 19.08 11.67 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.526 1.141 . . . . 0.0 111.036 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.446 ' CG2' ' HG3' ' A' ' 52' ' ' GLU . 2.7 m -57.45 156.32 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.76 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.99 101.12 12.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.577 ' O ' HG22 ' A' ' 59' ' ' ILE . 43.0 mt -149.92 70.02 9.31 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 169.07 23.44 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.483 1.781 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.53 -40.81 65.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -52.88 -19.9 2.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.604 ' CG ' ' CD2' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -113.19 -33.94 5.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.273 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.533 HD13 ' O ' ' A' ' 64' ' ' LEU . 0.7 OUTLIER -60.74 -15.36 28.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.36 -38.68 34.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.125 . . . . 0.0 109.248 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -79.17 -43.92 10.24 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.525 1.141 . . . . 0.0 111.047 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.924 ' HB3' HG22 ' A' ' 73' ' ' VAL . 13.2 mt -39.8 109.76 0.12 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 0.754 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.36 -38.45 6.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 110.261 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.987 ' O ' HG23 ' A' ' 73' ' ' VAL . 46.7 p -135.94 173.72 11.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 110.408 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.642 ' O ' HG23 ' A' ' 74' ' ' VAL . 6.7 t -56.47 -49.32 77.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -49.36 -37.5 25.19 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.583 ' O ' HD22 ' A' ' 67' ' ' LEU . 1.9 t70 -81.83 -26.78 34.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 0.729 . . . . 0.0 109.231 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.987 HG23 ' O ' ' A' ' 69' ' ' THR . 29.8 t -82.99 -13.55 12.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.372 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 1.04 HG13 ' CD1' ' A' ' 8' ' ' ILE . 92.3 t -96.87 -52.9 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.25 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.985 ' HB2' ' CB ' ' A' ' 88' ' ' ALA . . . -52.03 -55.5 20.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.907 ' CD2' HD21 ' A' ' 67' ' ' LEU . 1.8 m-85 -42.07 -23.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 111.008 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.61 HD12 HD13 ' A' ' 8' ' ' ILE . 4.4 mt -82.59 -70.97 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 81' ' ' GLU . 36.0 mt-30 -61.41 -52.17 65.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.851 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 4.0 mmtm -39.74 -53.41 2.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.444 ' HB2' ' O ' ' A' ' 76' ' ' TYR . 0.2 OUTLIER -58.72 -41.88 87.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.247 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 78' ' ' GLN . 0.3 OUTLIER -57.88 -47.65 82.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 110.299 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.531 ' O ' ' CG ' ' A' ' 83' ' ' GLU . 1.8 pt-20 -114.54 -104.52 0.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.531 ' CG ' ' O ' ' A' ' 82' ' ' GLU . 36.5 mt-10 -160.53 -79.07 0.05 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.508 ' N ' ' HD3' ' A' ' 85' ' ' PRO . 0.9 OUTLIER 60.42 59.94 3.87 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.416 1.072 . . . . 0.0 109.345 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.508 ' HD3' ' N ' ' A' ' 84' ' ' ASN . 18.2 Cg_endo -74.97 52.92 3.17 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.558 1.82 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -141.36 -64.15 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.435 ' CB ' HD21 ' A' ' 91' ' ' LEU . . . -177.81 134.15 0.16 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.985 ' CB ' ' HB2' ' A' ' 75' ' ' ALA . . . -51.58 -176.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.692 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -90.06 112.76 24.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.692 ' HB2' ' O ' ' A' ' 89' ' ' GLN . . . 162.45 -28.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.598 1.186 . . . . 0.0 109.26 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.672 ' H ' HD13 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -99.55 65.75 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.455 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 3.1 ptp180 -86.6 42.3 1.0 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.103 . . . . 0.0 110.26 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -155.39 -61.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.239 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -139.15 127.46 22.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.239 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.9 mp -61.44 -55.16 26.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.37 -46.86 46.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 110.337 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 m -86.36 63.75 8.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.007 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.417 ' OE1' HD12 ' A' ' 91' ' ' LEU . 3.3 mt-10 -51.42 132.23 29.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -174.69 116.37 0.32 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 72.19 4.75 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.56 1.821 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.667 ' O ' ' HB3' ' A' ' 102' ' ' ALA . 63.8 t0 -120.03 -59.8 1.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 101' ' ' ASP . . . 82.23 42.79 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.102 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.435 HG12 ' N ' ' A' ' 104' ' ' ALA . 21.7 t -152.1 164.64 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.59 1.181 . . . . 0.0 109.225 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.435 ' N ' HG12 ' A' ' 103' ' ' VAL . . . -176.08 -58.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.425 1.078 . . . . 0.0 109.351 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 106' ' ' VAL . 13.4 t30 60.08 154.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 109.321 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.796 HG13 ' N ' ' A' ' 107' ' ' GLN . 2.1 p -147.69 -149.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.796 ' N ' HG13 ' A' ' 106' ' ' VAL . 38.8 tt0 -167.25 115.59 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -174.59 47.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.42 1.075 . . . . 0.0 109.344 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.56 46.86 2.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 13.8 tp -121.67 138.53 54.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 109.402 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -139.9 113.64 8.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.286 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -155.88 127.28 7.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -167.98 -59.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.46 162.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 110.012 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.2 tptp . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.156 . . . . 0.0 109.256 179.982 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.1 mtm . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.535 0.207 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -164.46 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.456 1.766 . . . . 0.0 110.982 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.528 ' HB ' ' CE2' ' A' ' 55' ' ' TYR . 0.6 OUTLIER -113.56 164.87 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.336 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.459 HG23 ' N ' ' A' ' 5' ' ' GLN . 0.4 OUTLIER -174.24 171.16 3.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.083 . . . . 0.0 110.421 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.467 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 2.7 tp-100 -48.66 -70.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.363 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.744 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -49.06 -20.58 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.414 ' N ' ' C ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -74.62 -43.43 55.47 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 110.251 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 1.06 HD12 HG13 ' A' ' 74' ' ' VAL . 4.1 mt -93.47 -3.33 10.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.622 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.9 mt -106.13 -40.53 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.744 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -94.03 -36.94 11.89 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.96 -39.98 84.67 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.561 1.163 . . . . 0.0 110.956 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.466 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.1 mt -79.15 -53.07 14.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.481 0.753 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.622 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -40.39 -48.64 2.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -60.58 -42.78 97.41 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.473 1.108 . . . . 0.0 110.267 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.529 HG23 ' OE1' ' A' ' 50' ' ' GLN . 66.4 mt -65.3 -46.57 90.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.638 HD12 ' CG1' ' A' ' 27' ' ' ILE . 31.6 mt -53.6 -29.97 17.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 22' ' ' ILE . 0.5 OUTLIER -80.04 5.49 14.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -111.59 -45.24 3.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.813 HG12 ' OG ' ' A' ' 43' ' ' SER . 4.3 t -78.15 -59.7 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.254 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.592 HG22 ' OG ' ' A' ' 43' ' ' SER . 29.3 p -85.08 -30.76 23.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 110.403 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.92 30.38 35.41 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.551 1.157 . . . . 0.0 111.055 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.498 ' O ' ' CG ' ' A' ' 17' ' ' GLU . 30.8 mt -90.03 165.83 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.766 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.488 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.5 OUTLIER -66.1 148.44 98.4 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.395 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.483 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 18.1 Cg_endo -75.09 -51.74 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.449 1.762 . . . . 0.0 110.9 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.58 -24.86 66.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.044 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -62.94 -43.87 97.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.345 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.638 ' CG1' HD12 ' A' ' 16' ' ' ILE . 0.8 OUTLIER -60.15 131.44 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.416 ' C ' ' H ' ' A' ' 30' ' ' GLU . 1.0 OUTLIER -147.58 164.99 20.01 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.392 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 43.67 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.54 1.81 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.416 ' H ' ' C ' ' A' ' 28' ' ' THR . 3.1 mm-40 -133.98 -24.78 1.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.333 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.476 ' O ' HG22 ' A' ' 69' ' ' THR . 1.3 mttt -44.23 166.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.693 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -123.06 13.01 9.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.112 . . . . 0.0 109.982 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.545 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.1 t80 79.42 -30.39 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 111.043 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.565 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -139.79 -58.2 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.565 ' N ' HG12 ' A' ' 34' ' ' VAL . 8.5 t70 -37.94 -33.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -103.12 -67.69 0.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.337 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.494 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 60.5 mt -41.96 -53.5 3.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.5 OUTLIER 66.21 14.92 9.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.701 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -96.64 -17.43 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.579 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 9.7 t0 89.29 -171.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.642 ' O ' HG23 ' A' ' 45' ' ' VAL . 17.0 p -87.35 -5.01 59.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 110.002 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -64.91 0.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.813 ' OG ' HG12 ' A' ' 19' ' ' VAL . 7.3 t -68.01 -49.88 58.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.164 . . . . 0.0 110.067 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.494 ' SD ' ' CD1' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -48.55 -30.32 5.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 41' ' ' SER . 1.4 t -64.42 -35.45 74.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.629 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.4 OUTLIER -70.73 -56.01 7.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.285 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.491 HD11 ' HA ' ' A' ' 16' ' ' ILE . 1.3 mt -41.82 -43.88 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.995 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -69.66 -47.86 61.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.629 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -48.23 -24.57 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.529 ' OE1' HG23 ' A' ' 15' ' ' ILE . 37.2 mt-30 -90.58 -60.64 1.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.3 m -51.78 -37.41 51.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.077 . . . . 0.0 110.436 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.995 ' OE1' ' HB1' ' A' ' 48' ' ' ALA . 9.5 mt-10 -76.16 -2.22 30.03 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.407 1.067 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.57 -60.52 1.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 50' ' ' GLN . 4.0 mtpt -40.97 -41.44 1.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.528 ' CE2' ' HB ' ' A' ' 3' ' ' VAL . 31.7 t80 -107.73 -49.45 3.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.949 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 109.94 21.21 7.18 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.742 HG22 ' HA ' ' A' ' 52' ' ' GLU . 19.5 m -57.14 149.21 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.295 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.53 103.45 15.39 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.899 HD11 HG12 ' A' ' 77' ' ' ILE . 28.6 mt -148.1 73.64 11.07 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 0.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 169.32 22.87 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.478 1.778 . . . . 0.0 110.942 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.41 -40.76 75.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.359 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -50.14 -21.8 1.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.559 ' OD1' ' CD2' ' A' ' 76' ' ' TYR . 0.3 OUTLIER -113.82 -34.85 5.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.333 179.896 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.681 HD13 ' O ' ' A' ' 64' ' ' LEU . 0.8 OUTLIER -56.07 -18.89 10.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.29 -38.62 68.73 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.556 1.16 . . . . 0.0 109.335 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -75.09 -50.72 8.23 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.934 ' HB3' HG22 ' A' ' 73' ' ' VAL . 41.5 mt -39.44 119.73 0.98 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 0.776 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.92 -38.99 4.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.384 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.693 HG22 ' HA ' ' A' ' 32' ' ' SER . 70.8 p -133.45 160.73 36.55 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.504 1.128 . . . . 0.0 110.341 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.449 ' O ' HG23 ' A' ' 74' ' ' VAL . 21.7 t -45.74 -52.78 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -46.45 -33.98 6.26 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.431 1.082 . . . . 0.0 111.058 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.59 ' C ' HD22 ' A' ' 67' ' ' LEU . 9.1 t0 -84.01 -35.01 24.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 0.76 . . . . 0.0 109.356 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.934 HG22 ' HB3' ' A' ' 67' ' ' LEU . 24.0 t -72.74 -16.08 17.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 1.06 HG13 HD12 ' A' ' 8' ' ' ILE . 69.8 t -94.32 -57.74 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.376 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.778 ' HB2' ' HB1' ' A' ' 88' ' ' ALA . . . -46.01 -55.32 7.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.903 ' CG ' HD21 ' A' ' 67' ' ' LEU . 1.5 m-85 -43.85 -23.61 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 0.0 111.023 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.899 HG12 HD11 ' A' ' 59' ' ' ILE . 8.6 mt -83.61 -70.65 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.358 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.541 ' NE2' ' OE1' ' A' ' 83' ' ' GLU . 22.6 mt-30 -59.67 -52.84 63.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.718 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 1.2 mmtm -41.77 -48.12 4.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.583 1.177 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.465 HD12 ' O ' ' A' ' 76' ' ' TYR . 0.1 OUTLIER -56.06 -43.81 78.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 78' ' ' GLN . 2.5 mm-40 -61.8 -77.36 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.439 1.087 . . . . 0.0 110.238 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.431 ' CB ' ' O ' ' A' ' 81' ' ' GLU . 0.6 OUTLIER 166.13 90.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.541 ' OE1' ' NE2' ' A' ' 78' ' ' GLN . 33.7 mt-10 -141.43 -78.67 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.256 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.415 ' O ' ' CD ' ' A' ' 79' ' ' LYS . 2.8 t30 -124.48 88.77 52.94 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 53.34 3.3 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.5 1.789 . . . . 0.0 111.008 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.473 ' HG3' ' CD1' ' A' ' 95' ' ' ILE . 4.7 tp10 -133.35 -72.52 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.713 ' HB2' ' CD1' ' A' ' 95' ' ' ILE . . . -127.95 -93.63 0.45 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.471 1.107 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.778 ' HB1' ' HB2' ' A' ' 75' ' ' ALA . . . -160.5 178.94 9.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.445 ' HB2' HE21 ' A' ' 89' ' ' GLN . 0.0 OUTLIER -89.13 51.81 2.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.32 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 91' ' ' LEU . . . -166.58 -42.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.719 HD11 ' HA ' ' A' ' 98' ' ' GLU . 0.2 OUTLIER -39.38 138.07 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.889 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.682 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 6.0 ptp180 -161.58 59.4 0.27 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.682 ' HB2' ' O ' ' A' ' 92' ' ' ARG . . . 163.89 73.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.9 mtmt 68.26 136.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.713 ' CD1' ' HB2' ' A' ' 87' ' ' ALA . 28.8 mm -57.33 -79.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 95' ' ' ILE . 0.4 OUTLIER -38.51 -48.27 1.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.374 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.2 m -75.39 69.27 2.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 110.022 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.719 ' HA ' HD11 ' A' ' 91' ' ' LEU . 31.4 mt-10 -68.55 132.71 47.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 177.43 101.06 0.12 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 56.2 4.16 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.532 1.806 . . . . 0.0 111.045 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.506 ' O ' ' HB3' ' A' ' 102' ' ' ALA . 2.4 t0 -169.33 -49.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 101' ' ' ASP . . . 71.53 33.89 1.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.25 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.713 HG13 ' N ' ' A' ' 104' ' ' ALA . 1.1 p -122.98 -158.2 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.093 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.713 ' N ' HG13 ' A' ' 103' ' ' VAL . . . -176.52 -58.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.25 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.6 t30 168.62 166.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.0 t -137.81 166.29 24.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.686 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 46.1 tt0 178.54 148.79 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.334 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 107' ' ' GLN . . . 84.62 52.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.26 23.74 1.31 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.429 1.081 . . . . 0.0 110.263 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.9 tt -85.95 143.04 28.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -138.46 -147.97 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 110.321 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -164.87 176.66 8.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 176.04 57.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.595 1.185 . . . . 0.0 110.331 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 51.9 p -88.0 83.23 7.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.061 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.519 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 120.546 0.212 . . . . 0.0 111.01 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.3 Cg_endo -74.9 -51.06 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.474 1.776 . . . . 0.0 111.04 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.693 ' O ' HG13 ' A' ' 3' ' ' VAL . 8.0 p -114.77 96.72 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.473 HG23 ' N ' ' A' ' 5' ' ' GLN . 1.5 t -93.81 -172.63 2.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.395 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.473 ' N ' HG23 ' A' ' 4' ' ' THR . 2.7 tp-100 -63.58 -61.68 2.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.792 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -53.01 -17.46 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.36 -45.37 32.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 1.083 ' CD1' HG13 ' A' ' 74' ' ' VAL . 8.2 mt -91.94 -3.56 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.246 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.5 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.9 mt -105.89 -42.28 6.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.792 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -92.45 -34.68 14.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.97 -40.34 62.76 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.442 1.089 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -76.9 -53.17 15.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.51 0.771 . . . . 0.0 109.275 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -41.44 -47.52 3.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -57.75 -48.11 80.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.331 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.1 mt -62.62 -41.31 91.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.633 HG23 ' OG1' ' A' ' 20' ' ' THR . 5.2 mt -53.8 -31.1 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -77.55 2.24 17.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 110.235 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -107.19 -59.11 1.86 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 110.347 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.885 HG12 ' OG ' ' A' ' 43' ' ' SER . 19.4 t -79.26 -64.87 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.75 HG22 HG13 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -63.63 -37.8 88.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.388 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 16' ' ' ILE . . . 81.96 21.07 61.89 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.526 1.141 . . . . 0.0 111.038 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.736 HD12 ' HB ' ' A' ' 20' ' ' THR . 12.1 mt -89.64 166.43 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.598 0.823 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.509 ' N ' HG22 ' A' ' 22' ' ' ILE . 1.0 OUTLIER -71.0 151.84 94.98 Favored Pre-proline 0 C--N 1.326 -0.415 0 O-C-N 124.483 1.114 . . . . 0.0 110.319 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -49.35 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.471 1.774 . . . . 0.0 110.959 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.44 -26.19 65.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 110.036 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.435 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -62.84 -44.46 96.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.098 . . . . 0.0 110.334 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.87 ' O ' HG23 ' A' ' 28' ' ' THR . 0.6 OUTLIER -56.72 156.03 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.87 HG23 ' O ' ' A' ' 27' ' ' ILE . 0.6 OUTLIER -166.76 167.09 8.27 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.363 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.455 ' HA ' ' HB ' ' A' ' 70' ' ' VAL . 18.2 Cg_endo -75.01 2.0 7.12 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.521 1.801 . . . . 0.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.03 -5.15 55.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -68.09 162.94 23.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.778 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -118.96 14.25 13.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.163 . . . . 0.0 109.977 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.603 ' CE2' ' SD ' ' A' ' 44' ' ' MET . 1.0 OUTLIER 79.78 -33.77 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.998 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.565 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -136.22 -57.7 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.565 ' N ' HG12 ' A' ' 34' ' ' VAL . 13.8 t0 -37.12 -35.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -101.55 -67.61 0.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.367 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.592 HD12 ' O ' ' A' ' 33' ' ' PHE . 50.0 mt -38.96 -51.26 1.79 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 109.393 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER 65.37 12.67 8.28 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.75 HG13 HG22 ' A' ' 20' ' ' THR . 0.2 OUTLIER -90.87 -19.26 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.525 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 1.1 t70 83.99 -163.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.707 ' O ' HG23 ' A' ' 45' ' ' VAL . 46.7 p -91.2 5.76 47.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.977 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.01 -72.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 109.392 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.885 ' OG ' HG12 ' A' ' 19' ' ' VAL . 12.6 t -63.64 -44.62 93.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.981 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.603 ' SD ' ' CE2' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -47.82 -38.95 17.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.924 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 41' ' ' SER . 2.7 t -60.9 -30.74 48.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.575 1.172 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.768 ' CB ' HG11 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -76.84 -51.37 11.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.365 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.564 HD11 ' OG1' ' A' ' 20' ' ' THR . 2.9 mt -55.52 -24.27 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.627 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -87.58 -44.73 11.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.615 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -49.18 -26.32 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 54' ' ' LYS . 57.2 mt-30 -89.68 -60.35 1.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -52.19 -36.86 53.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.364 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.627 ' OE1' ' HB1' ' A' ' 48' ' ' ALA . 11.9 mt-10 -76.66 -1.57 28.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.401 1.063 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.42 -59.75 1.9 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 50' ' ' GLN . 11.6 mtpp -41.35 -40.66 1.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.53 ' CE2' ' HB ' ' A' ' 3' ' ' VAL . 33.5 t80 -110.38 -53.72 2.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.093 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 112.3 38.78 1.31 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.615 HG22 ' HA ' ' A' ' 52' ' ' GLU . 17.6 m -76.01 149.21 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 0.767 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.61 112.04 24.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.705 ' O ' HG22 ' A' ' 59' ' ' ILE . 59.8 mt -145.03 67.61 13.51 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 109.203 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 171.47 18.27 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.436 1.756 . . . . 0.0 110.969 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.28 -40.86 62.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -50.08 -21.98 1.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.503 ' CG ' ' CD2' ' A' ' 76' ' ' TYR . 0.6 OUTLIER -114.62 -36.46 4.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.685 HD13 ' O ' ' A' ' 64' ' ' LEU . 0.5 OUTLIER -59.35 -16.55 23.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.367 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.79 -39.97 42.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.93 -43.4 9.94 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.55 1.156 . . . . 0.0 110.963 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.902 HD21 ' CD2' ' A' ' 76' ' ' TYR . 24.5 mt -44.54 118.29 1.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 0.744 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.33 -39.02 4.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.332 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.861 ' O ' HG23 ' A' ' 73' ' ' VAL . 20.4 p -135.9 177.36 7.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.593 1.183 . . . . 0.0 110.415 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.543 HG12 ' CG2' ' A' ' 74' ' ' VAL . 4.1 t -57.15 -55.97 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.236 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -44.17 -29.13 1.52 Allowed Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.584 1.178 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.627 ' C ' HD22 ' A' ' 67' ' ' LEU . 9.5 t0 -88.82 -40.35 13.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 0.738 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.889 HG22 ' HB3' ' A' ' 67' ' ' LEU . 21.9 t -72.59 -14.53 17.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.399 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 1.083 HG13 ' CD1' ' A' ' 8' ' ' ILE . 77.3 t -96.48 -57.11 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.716 ' HB2' ' HB1' ' A' ' 88' ' ' ALA . . . -48.43 -55.1 11.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.357 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.902 ' CD2' HD21 ' A' ' 67' ' ' LEU . 1.7 m-85 -42.82 -24.95 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.793 HD12 HD13 ' A' ' 8' ' ' ILE . 6.6 mt -81.38 -55.67 7.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.601 1.188 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 81' ' ' GLU . 64.4 mt-30 -66.68 -50.63 62.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 110.352 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.93 -53.09 3.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.416 1.073 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.07 -40.66 85.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 78' ' ' GLN . 1.3 mt-10 -62.45 -53.17 58.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.379 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.512 ' O ' ' CG ' ' A' ' 83' ' ' GLU . 1.4 pt-20 -113.21 -101.89 0.41 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.507 1.129 . . . . 0.0 110.21 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 82' ' ' GLU . 34.4 mt-10 -159.9 -73.77 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 110.34 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.442 ' CB ' ' O ' ' A' ' 83' ' ' GLU . 8.1 t30 77.44 74.6 0.17 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 55.29 3.95 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.742 ' O ' ' HB2' ' A' ' 87' ' ' ALA . 5.3 tp10 -137.57 -72.93 0.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.154 . . . . 0.0 110.246 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.742 ' HB2' ' O ' ' A' ' 86' ' ' GLU . . . 158.07 65.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.716 ' HB1' ' HB2' ' A' ' 75' ' ' ALA . . . 61.79 125.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.666 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 2.0 pt20 -40.94 143.57 0.36 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.666 ' HB3' ' O ' ' A' ' 89' ' ' GLN . . . 82.45 46.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.567 ' HG ' ' HB3' ' A' ' 87' ' ' ALA . 2.7 tm? -133.81 136.45 44.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.407 ' N ' HD13 ' A' ' 91' ' ' LEU . 0.7 OUTLIER -176.74 57.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.35 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -164.27 -70.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.87 132.85 24.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.366 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.428 HG13 ' HB2' ' A' ' 87' ' ' ALA . 1.7 mp -58.96 -37.13 65.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -80.7 -62.6 1.62 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 0.0 110.296 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.8 m -77.25 71.2 3.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.019 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -45.73 144.77 1.57 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -153.26 112.51 2.64 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.425 ' O ' ' O ' ' A' ' 101' ' ' ASP . 18.4 Cg_endo -74.98 61.65 5.69 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.53 1.805 . . . . 0.0 111.009 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.425 ' O ' ' O ' ' A' ' 100' ' ' PRO . 3.1 t70 60.51 142.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 103' ' ' VAL . . . -179.35 40.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.785 HG13 ' N ' ' A' ' 104' ' ' ALA . 0.4 OUTLIER 39.24 -158.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.785 ' N ' HG13 ' A' ' 103' ' ' VAL . . . -162.52 -63.38 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 173.52 125.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.255 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.45 HG12 ' N ' ' A' ' 107' ' ' GLN . 10.4 t -108.52 168.33 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.45 ' N ' HG12 ' A' ' 106' ' ' VAL . 28.7 tt0 -153.68 97.14 2.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.269 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -170.97 45.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.52 48.83 1.79 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.402 1.064 . . . . 0.0 110.36 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 43.0 tp -112.83 139.31 48.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -140.58 108.01 5.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.43 1.082 . . . . 0.0 110.365 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -158.53 132.93 8.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -168.93 -41.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.152 . . . . 0.0 110.282 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.78 -179.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.967 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 14.8 tttp . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.34 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.489 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.541 0.21 . . . . 0.0 111.003 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.4 Cg_endo -74.97 -1.87 11.78 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.462 1.769 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.73 ' O ' HG13 ' A' ' 3' ' ' VAL . 7.1 p -136.98 61.12 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.71 HG22 ' OE1' ' A' ' 7' ' ' GLU . 1.1 t -79.95 -177.08 5.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.387 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.457 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 2.7 tp-100 -53.77 -67.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.762 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -51.1 -19.71 1.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.419 1.075 . . . . 0.0 110.315 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.71 ' OE1' HG22 ' A' ' 4' ' ' THR . 0.0 OUTLIER -75.17 -42.82 55.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 1.044 ' CD1' HG13 ' A' ' 74' ' ' VAL . 4.8 mt -94.08 -3.92 10.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.582 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.9 mt -106.21 -42.18 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.762 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -93.0 -36.42 12.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.79 -43.03 76.95 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.54 1.15 . . . . 0.0 111.029 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -75.71 -53.25 16.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.485 0.756 . . . . 0.0 109.221 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.582 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -41.7 -46.44 3.76 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -58.16 -46.56 85.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.439 ' CG2' ' HA ' ' A' ' 47' ' ' ILE . 34.0 mt -64.75 -45.07 96.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.514 HG22 ' HB ' ' A' ' 22' ' ' ILE . 17.5 mt -53.19 -32.35 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 109.247 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.515 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 2.2 tm-20 -78.18 4.99 11.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.573 1.171 . . . . 0.0 110.359 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 15' ' ' ILE . 0.9 OUTLIER -112.25 -43.92 3.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.308 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.816 HG12 ' OG ' ' A' ' 43' ' ' SER . 3.0 t -82.03 -56.76 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.607 HG23 HD11 ' A' ' 47' ' ' ILE . 18.0 p -88.34 -23.45 23.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.425 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.4 20.29 77.16 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.516 HG22 ' N ' ' A' ' 23' ' ' GLU . 64.5 mt -75.86 166.52 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.413 0.714 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.516 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -70.82 150.31 95.18 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.333 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -49.23 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.5 -20.64 63.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.015 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.437 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 2.2 tt0 -65.67 -51.58 58.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.262 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.509 HG12 HD12 ' A' ' 16' ' ' ILE . 0.8 OUTLIER -53.95 128.5 13.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 109.37 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.437 ' C ' ' H ' ' A' ' 30' ' ' GLU . 1.0 OUTLIER -140.67 165.32 30.61 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 0.0 110.465 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.453 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 18.2 Cg_endo -75.03 42.24 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.479 1.778 . . . . 0.0 110.964 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.437 ' H ' ' C ' ' A' ' 28' ' ' THR . 1.9 mm-40 -136.66 5.31 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.416 ' HB2' HG23 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -67.06 167.15 12.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.242 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.952 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -128.49 14.37 6.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.983 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.741 ' CD1' ' HE2' ' A' ' 44' ' ' MET . 1.3 t80 81.18 -38.38 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 111.076 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.532 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -137.65 -55.37 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.532 ' N ' HG12 ' A' ' 34' ' ' VAL . 8.7 t70 -38.23 -31.4 0.05 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -106.95 -68.05 0.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.515 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 58.5 mt -41.8 -55.83 2.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.81 12.18 8.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.35 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.67 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -94.06 -17.88 7.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.533 1.145 . . . . 0.0 109.268 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.583 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 11.4 t0 89.53 -172.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.651 ' O ' HG23 ' A' ' 45' ' ' VAL . 90.0 p -89.48 -3.07 58.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.978 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.73 -63.51 1.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.816 ' OG ' HG12 ' A' ' 19' ' ' VAL . 8.2 t -65.85 -55.34 17.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 109.952 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.741 ' HE2' ' CD1' ' A' ' 33' ' ' PHE . 11.4 mmm -43.97 -38.03 3.26 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.475 1.109 . . . . 0.0 110.993 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 41' ' ' SER . 1.4 t -54.63 -37.85 40.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.463 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -72.15 -52.96 14.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.078 . . . . 0.0 110.313 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.607 HD11 HG23 ' A' ' 20' ' ' THR . 1.6 mt -40.35 -43.55 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.635 ' HB1' ' OE2' ' A' ' 52' ' ' GLU . . . -74.92 -51.13 14.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.463 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -45.93 -26.34 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 109.285 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' A' ' 54' ' ' LYS . 35.9 mt-30 -88.05 -60.82 1.86 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.541 ' O ' HG23 ' A' ' 57' ' ' VAL . 1.0 OUTLIER -51.96 -38.72 57.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 0.0 110.43 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.635 ' OE2' ' HB1' ' A' ' 48' ' ' ALA . 0.8 OUTLIER -73.81 -1.7 20.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.72 -64.96 1.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.165 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 50' ' ' GLN . 13.8 mttt -45.48 -40.75 8.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.241 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.63 -43.47 5.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 111.025 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.7 36.28 5.11 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.426 1.079 . . . . 0.0 111.015 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.729 HG12 ' H ' ' A' ' 58' ' ' LYS . 2.1 t -65.05 -176.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.583 0.814 . . . . 0.0 109.356 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.729 ' H ' HG12 ' A' ' 57' ' ' VAL . 0.6 OUTLIER -130.29 100.01 5.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.77 HD11 HG12 ' A' ' 77' ' ' ILE . 24.1 mt -153.49 76.89 6.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 170.47 20.34 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.504 1.792 . . . . 0.0 110.981 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.01 -40.51 89.52 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 0.0 109.211 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -50.76 -21.41 1.63 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.149 . . . . 0.0 110.316 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.599 ' CG ' ' CE2' ' A' ' 76' ' ' TYR . 0.7 OUTLIER -113.06 -34.15 5.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.612 HD13 ' O ' ' A' ' 64' ' ' LEU . 1.1 tm? -56.57 -18.26 11.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.36 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.92 -41.39 59.76 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.16 -45.92 37.75 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 110.948 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.949 HD21 ' CD2' ' A' ' 76' ' ' TYR . 21.1 mt -40.82 124.52 2.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 0.765 . . . . 0.0 109.291 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.14 -40.88 3.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.41 1.069 . . . . 0.0 110.291 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.952 HG22 ' HA ' ' A' ' 32' ' ' SER . 37.9 p -136.9 168.36 19.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.389 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.851 ' O ' HG23 ' A' ' 74' ' ' VAL . 12.9 t -48.89 -45.86 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.16 . . . . 0.0 109.352 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -53.57 -36.74 54.84 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.443 1.089 . . . . 0.0 110.959 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.63 ' O ' HD22 ' A' ' 67' ' ' LEU . 4.2 t0 -82.61 -33.6 27.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.39 0.7 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.906 HG22 ' HB3' ' A' ' 67' ' ' LEU . 21.8 t -75.57 -14.31 15.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 1.044 HG13 ' CD1' ' A' ' 8' ' ' ILE . 94.5 t -95.2 -56.46 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.15 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.966 ' HB2' ' CB ' ' A' ' 88' ' ' ALA . . . -45.29 -56.79 4.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.113 . . . . 0.0 109.348 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.949 ' CD2' HD21 ' A' ' 67' ' ' LEU . 1.4 m-30 -43.11 -25.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 111.045 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.77 HG12 HD11 ' A' ' 59' ' ' ILE . 5.4 mt -79.91 -77.12 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 79' ' ' LYS . 40.4 mt-30 -54.87 -50.96 67.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.83 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 0.3 OUTLIER -39.21 -52.89 1.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.457 ' CB ' ' HE2' ' A' ' 58' ' ' LYS . 0.2 OUTLIER -72.14 -45.52 60.2 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.98 -60.28 3.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 110.33 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -112.23 -98.37 0.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -155.2 -73.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.327 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.9 t30 66.73 65.93 0.72 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 54.2 3.57 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.56 1.821 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -140.54 -62.57 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 110.326 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.418 ' CB ' ' HG ' ' A' ' 91' ' ' LEU . . . -173.29 -96.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.23 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.966 ' CB ' ' HB2' ' A' ' 75' ' ' ALA . . . -168.48 57.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.234 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.69 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 1.2 pt20 29.81 70.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.69 ' HB2' ' O ' ' A' ' 89' ' ' GLN . . . 163.75 44.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.848 HD22 ' N ' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -134.3 174.79 10.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 109.335 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.848 ' N ' HD22 ' A' ' 91' ' ' LEU . 2.2 ptp180 -163.34 79.85 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 92' ' ' ARG . . . 83.52 45.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.596 ' H ' HD23 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -146.23 177.48 8.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.355 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.467 ' HA ' HD13 ' A' ' 95' ' ' ILE . 16.2 mm -123.36 -56.54 2.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.26 -78.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.334 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 172.46 118.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.077 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 99' ' ' ASN . 0.2 OUTLIER 63.5 135.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.412 ' N ' ' HG3' ' A' ' 98' ' ' GLU . 62.3 t30 -124.07 126.98 25.5 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.249 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 70.55 5.24 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.488 1.783 . . . . 0.0 111.051 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -96.91 -49.65 4.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -178.75 56.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 11.2 t -92.68 5.51 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -137.65 -62.58 0.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 39.2 t30 61.0 157.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.223 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.652 HG12 ' H ' ' A' ' 107' ' ' GLN . 1.3 t -118.59 -160.29 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.652 ' H ' HG12 ' A' ' 106' ' ' VAL . 0.1 OUTLIER -104.15 -152.51 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -109.46 18.17 20.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.345 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? 39.36 60.12 1.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 23.5 tp -106.65 152.97 23.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -135.4 -148.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.266 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -176.68 142.87 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 109.346 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -151.66 41.83 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.398 1.061 . . . . 0.0 110.274 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.0 m -111.17 156.85 20.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.032 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.0 ttpp . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.516 0.198 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 178.35 7.39 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.421 1.748 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.515 ' HB ' ' CZ ' ' A' ' 55' ' ' TYR . 1.2 p -97.57 166.18 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.522 HG23 ' N ' ' A' ' 5' ' ' GLN . 0.3 OUTLIER -178.99 172.43 1.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.61 1.194 . . . . 0.0 110.368 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.522 ' N ' HG23 ' A' ' 4' ' ' THR . 2.7 tp-100 -49.23 -70.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.308 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.746 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -49.48 -20.43 0.72 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 0.0 110.33 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 5' ' ' GLN . 0.1 OUTLIER -74.65 -42.28 58.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.328 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 1.081 ' CD1' HG13 ' A' ' 74' ' ' VAL . 4.4 mt -95.0 -3.23 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.563 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.9 mt -106.69 -41.08 5.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.746 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -95.18 -35.86 11.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.589 1.181 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.7 -39.41 77.41 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.488 1.117 . . . . 0.0 111.038 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.405 ' HB ' ' O ' ' A' ' 8' ' ' ILE . 0.7 OUTLIER -79.94 -53.3 13.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.435 0.727 . . . . 0.0 109.279 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.563 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -42.85 -50.0 5.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.51 -45.06 85.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.474 HG22 ' CG1' ' A' ' 47' ' ' ILE . 91.3 mt -63.98 -45.22 97.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.541 ' HA ' HD11 ' A' ' 47' ' ' ILE . 6.7 mt -53.72 -33.78 23.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.52 0.71 13.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.348 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -106.42 -44.15 4.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.155 . . . . 0.0 110.267 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.801 HG12 ' OG ' ' A' ' 43' ' ' SER . 3.1 t -83.27 -67.41 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.418 HG22 ' CB ' ' A' ' 43' ' ' SER . 67.7 p -75.51 -20.84 58.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.429 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 70.79 22.33 78.17 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.514 HG22 ' N ' ' A' ' 23' ' ' GLU . 61.7 mt -80.53 166.48 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.758 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.514 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -69.38 151.17 96.94 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.282 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.415 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 18.2 Cg_endo -74.99 -49.61 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.556 1.819 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.54 -25.81 66.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 109.986 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.442 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 4.1 tt0 -62.14 -45.15 94.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.32 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.572 ' O ' HG23 ' A' ' 28' ' ' THR . 0.7 OUTLIER -61.72 142.81 15.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.35 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 27' ' ' ILE . 0.1 OUTLIER -159.85 170.17 9.14 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.369 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.414 ' HA ' ' HB ' ' A' ' 70' ' ' VAL . 18.2 Cg_endo -75.0 42.62 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.477 1.777 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.436 ' H ' ' C ' ' A' ' 28' ' ' THR . 2.9 mm-40 -129.36 -25.34 2.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.281 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.485 ' O ' HG22 ' A' ' 69' ' ' THR . 2.4 mttt -43.34 159.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.569 1.168 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.718 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -121.69 14.46 10.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.94 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.597 ' CE1' ' SD ' ' A' ' 44' ' ' MET . 1.0 OUTLIER 80.01 -30.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.558 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -143.18 -57.17 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.574 1.171 . . . . 0.0 109.256 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.558 ' N ' HG12 ' A' ' 34' ' ' VAL . 3.3 t70 -37.78 -32.4 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 109.227 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -106.4 -67.73 0.92 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' A' ' 33' ' ' PHE . 80.3 mt -43.51 -51.16 6.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 34' ' ' VAL . 1.2 t0 61.67 16.47 7.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.637 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -98.33 -15.28 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.54 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 15.0 t0 85.76 -170.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.605 ' O ' HG23 ' A' ' 45' ' ' VAL . 54.8 p -88.68 1.78 54.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.046 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.08 -65.49 0.69 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.801 ' OG ' HG12 ' A' ' 19' ' ' VAL . 11.6 t -68.1 -48.73 64.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.96 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.597 ' SD ' ' CE1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -49.44 -28.75 5.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 111.008 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 41' ' ' SER . 1.3 t -66.76 -35.01 73.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.6 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -69.4 -55.9 8.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.138 . . . . 0.0 110.343 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.541 HD11 ' HA ' ' A' ' 16' ' ' ILE . 1.5 mt -43.4 -45.45 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.03 -50.18 62.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.6 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -48.19 -25.39 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 54' ' ' LYS . 34.1 mt-30 -89.55 -60.21 2.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.416 1.072 . . . . 0.0 110.271 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.465 HG22 HG21 ' A' ' 57' ' ' VAL . 3.0 m -51.66 -38.22 53.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.458 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.7 ' HA ' HG22 ' A' ' 57' ' ' VAL . 15.2 mt-10 -75.34 -1.87 25.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 0.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.17 -61.03 1.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' GLN . 2.7 mtpt -41.72 -42.27 2.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.412 1.07 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.515 ' CZ ' ' HB ' ' A' ' 3' ' ' VAL . 35.4 t80 -108.66 -53.78 2.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 114.75 27.98 3.09 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.432 1.083 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.7 HG22 ' HA ' ' A' ' 52' ' ' GLU . 19.5 m -61.23 148.69 9.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.439 0.729 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.8 105.26 16.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.589 HD11 HD11 ' A' ' 77' ' ' ILE . 10.1 mt -148.12 75.68 10.6 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 169.7 22.04 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.49 1.784 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.85 -40.54 80.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.34 -25.33 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.376 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.712 ' CB ' ' CE2' ' A' ' 76' ' ' TYR . 0.1 OUTLIER -112.95 -39.67 4.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.521 HD11 ' CZ ' ' A' ' 33' ' ' PHE . 0.7 OUTLIER -50.58 -22.9 2.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.04 -42.14 69.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 109.362 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -74.69 -46.76 17.2 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.487 1.117 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.924 ' HB3' HG22 ' A' ' 73' ' ' VAL . 8.6 mt -39.41 125.34 1.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 109.328 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.82 -41.52 3.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 110.352 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.735 ' O ' HG23 ' A' ' 73' ' ' VAL . 70.6 p -131.69 165.57 23.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.38 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.94 ' O ' HG23 ' A' ' 74' ' ' VAL . 11.6 t -51.6 -44.83 35.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -51.84 -33.81 36.21 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.553 1.158 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -84.8 -33.05 23.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 0.743 . . . . 0.0 109.324 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.924 HG22 ' HB3' ' A' ' 67' ' ' LEU . 13.8 t -78.0 -11.66 13.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.559 1.162 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 1.081 HG13 ' CD1' ' A' ' 8' ' ' ILE . 64.0 t -96.75 -56.62 5.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 1.079 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -44.81 -57.22 3.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.712 ' CE2' ' CB ' ' A' ' 63' ' ' ASP . 2.2 t80 -43.3 -27.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 111.059 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.63 HD12 HD13 ' A' ' 8' ' ' ILE . 4.7 mt -81.55 -76.52 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 79' ' ' LYS . 46.3 mt-30 -49.88 -53.06 28.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.549 1.155 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.524 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 12.6 mmmm -39.96 -52.99 2.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.04 -42.82 72.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.53 -63.64 1.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -114.1 -98.62 0.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -152.75 -72.61 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 110.317 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 26.8 t30 63.65 74.27 0.44 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 54.52 3.69 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.547 1.814 . . . . 0.0 110.991 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.477 ' O ' HG23 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -139.34 -69.15 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.252 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.471 ' O ' ' HB2' ' A' ' 88' ' ' ALA . . . -176.96 -77.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 1.079 ' HB2' ' HB2' ' A' ' 75' ' ' ALA . . . 177.07 51.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.09 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.635 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 0.0 OUTLIER 38.3 90.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.16 . . . . 0.0 110.341 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.635 ' HB2' ' O ' ' A' ' 89' ' ' GLN . . . 167.92 -51.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.475 ' N ' ' CD1' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -44.24 156.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.229 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.424 ' HB3' ' NH1' ' A' ' 92' ' ' ARG . 5.3 ptp180 -167.83 46.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.578 1.174 . . . . 0.0 110.338 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.568 ' HB2' ' HB3' ' A' ' 102' ' ' ALA . . . -173.76 -50.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.133 . . . . 0.0 109.339 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -148.34 154.41 39.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.506 ' N ' HD12 ' A' ' 95' ' ' ILE . 3.2 mp -72.25 -78.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.255 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 98' ' ' GLU . 0.8 OUTLIER -44.56 -57.71 3.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 110.245 -179.92 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.8 m -66.39 72.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.985 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 96' ' ' GLU . 1.1 mt-10 -66.27 132.91 49.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.306 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 166.82 115.01 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 56.1 4.17 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.518 1.799 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -170.26 127.0 0.81 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.568 ' HB3' ' HB2' ' A' ' 93' ' ' ALA . . . -176.71 56.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.654 HG13 ' N ' ' A' ' 104' ' ' ALA . 1.4 p -139.26 -159.88 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.654 ' N ' HG13 ' A' ' 103' ' ' VAL . . . 178.51 -56.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 174.87 174.69 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 0.0 109.334 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.419 ' O ' HG12 ' A' ' 106' ' ' VAL . 95.6 t -81.85 -4.62 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.088 . . . . 0.0 109.361 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.418 ' O ' ' HB2' ' A' ' 108' ' ' ALA . 17.0 tt0 56.03 108.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 110.233 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.418 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . 179.33 56.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.99 50.14 1.26 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 13.7 tp -144.88 149.55 35.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.339 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 6.3 mm-40 -131.8 -148.15 0.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.254 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 111' ' ' GLU . . . 177.33 66.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.14 . . . . 0.0 109.33 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -166.72 48.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.1 t -40.86 -67.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.017 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.5 mtt . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.482 0.182 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -162.54 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.553 1.818 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.717 ' O ' HG13 ' A' ' 3' ' ' VAL . 2.4 p -142.18 45.85 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.471 ' N ' ' HB2' ' A' ' 7' ' ' GLU . 8.1 t -78.45 -175.23 4.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 110.404 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.524 ' HB2' ' NE2' ' A' ' 89' ' ' GLN . 2.7 tp-100 -54.66 -66.92 0.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 110.306 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.749 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -51.38 -19.96 1.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.471 ' HB2' ' N ' ' A' ' 4' ' ' THR . 0.8 OUTLIER -74.25 -42.63 59.36 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.501 1.126 . . . . 0.0 110.355 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 1.029 ' CD1' HG13 ' A' ' 74' ' ' VAL . 6.0 mt -94.66 -4.81 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.56 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 3.0 mt -104.61 -40.48 6.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.749 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -94.33 -33.86 13.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -71.31 -40.24 60.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.3 mt -79.43 -54.41 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 0.775 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.56 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -40.68 -49.79 3.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.302 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -59.16 -41.98 89.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.355 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.511 ' CG2' ' HA ' ' A' ' 47' ' ' ILE . 40.1 mt -66.48 -46.33 86.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.749 HD12 HG12 ' A' ' 27' ' ' ILE . 36.6 mt -53.42 -32.25 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.511 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 1.3 tm-20 -79.06 3.55 17.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -109.89 -45.82 3.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 110.348 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.859 HG12 ' OG ' ' A' ' 43' ' ' SER . 2.4 t -79.46 -66.24 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.772 HG22 ' HB3' ' A' ' 43' ' ' SER . 18.1 p -76.53 -29.96 56.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.407 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.2 22.92 56.23 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.523 HG22 ' N ' ' A' ' 23' ' ' GLU . 47.9 mt -82.3 166.74 2.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.533 0.784 . . . . 0.0 109.241 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.523 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -69.53 152.45 96.32 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.456 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 18.1 Cg_endo -75.02 -54.85 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.537 1.809 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.93 -23.14 66.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 109.999 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.427 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 17.4 tt0 -61.56 -42.85 99.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.799 ' O ' HG23 ' A' ' 28' ' ' THR . 0.7 OUTLIER -62.16 146.9 11.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.799 HG23 ' O ' ' A' ' 27' ' ' ILE . 0.7 OUTLIER -163.69 166.62 12.25 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.376 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.407 ' HD2' ' HB ' ' A' ' 28' ' ' THR . 18.3 Cg_endo -74.92 48.51 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.452 1.764 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -137.76 -27.87 0.91 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.428 ' O ' ' HB ' ' A' ' 69' ' ' THR . 3.2 mttt -42.95 157.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.707 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -116.71 15.0 15.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.969 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.558 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.2 t80 79.98 -30.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 111.019 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.566 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -142.49 -57.21 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 109.351 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.566 ' N ' HG12 ' A' ' 34' ' ' VAL . 16.2 t0 -37.18 -33.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -105.4 -67.44 0.92 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.358 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.419 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 73.3 mt -39.84 -52.03 2.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER 63.59 13.53 7.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.907 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.626 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -94.05 -20.09 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.594 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 8.9 t0 89.51 -171.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.619 ' O ' HG23 ' A' ' 45' ' ' VAL . 35.6 t -87.23 1.57 52.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.017 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -69.45 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.357 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.859 ' OG ' HG12 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -67.24 -43.11 82.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.033 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.419 ' SD ' ' CD1' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -52.65 -31.48 37.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.996 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 41' ' ' SER . 1.4 t -63.29 -36.18 75.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.353 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.539 ' HB2' HG11 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -71.69 -56.46 5.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 110.27 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.619 HD11 HG23 ' A' ' 20' ' ' THR . 2.5 mt -39.36 -41.43 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.33 -45.3 26.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -48.82 -26.52 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.12 . . . . 0.0 109.373 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' A' ' 54' ' ' LYS . 33.9 mt-30 -87.49 -60.29 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.332 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.591 HG22 HG21 ' A' ' 57' ' ' VAL . 1.1 m -51.49 -39.07 56.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.64 ' HA ' HG22 ' A' ' 57' ' ' VAL . 20.3 mt-10 -74.12 -1.97 22.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.331 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.26 -62.12 1.62 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.441 1.088 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 50' ' ' GLN . 11.5 mtpp -40.96 -40.8 1.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.348 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.477 ' CD1' HG13 ' A' ' 57' ' ' VAL . 33.0 t80 -108.34 -46.77 3.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 110.921 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 109.48 10.18 23.98 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.518 1.137 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.64 HG22 ' HA ' ' A' ' 52' ' ' GLU . 33.2 m -47.59 154.85 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.385 0.697 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.48 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -110.06 121.6 45.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.783 HD11 HD11 ' A' ' 77' ' ' ILE . 21.0 mt -155.58 73.43 5.38 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 170.6 20.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.509 1.794 . . . . 0.0 110.955 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.422 ' C ' ' N ' ' A' ' 63' ' ' ASP . 0.4 OUTLIER -55.18 -39.49 69.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -41.63 -27.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.287 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.705 ' CB ' ' CE2' ' A' ' 76' ' ' TYR . 0.1 OUTLIER -116.14 -43.47 2.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.636 HD23 HG22 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -47.2 -25.3 0.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 63' ' ' ASP . . . -69.68 -44.83 69.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . -74.66 -48.07 13.81 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.457 1.098 . . . . 0.0 111.032 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.883 ' HB3' HG22 ' A' ' 73' ' ' VAL . 19.5 mt -39.31 122.9 1.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 109.235 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.64 -38.82 3.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.766 ' O ' HG23 ' A' ' 73' ' ' VAL . 73.2 p -130.55 166.24 21.03 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.498 1.123 . . . . 0.0 110.371 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.583 ' O ' HG23 ' A' ' 74' ' ' VAL . 12.0 t -52.92 -47.56 52.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -52.71 -30.4 35.47 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.439 1.087 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.689 ' O ' HD22 ' A' ' 67' ' ' LEU . 6.1 t0 -86.0 -27.98 24.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 0.735 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.883 HG22 ' HB3' ' A' ' 67' ' ' LEU . 21.2 t -82.87 -19.14 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.227 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 1.029 HG13 ' CD1' ' A' ' 8' ' ' ILE . 91.0 t -90.87 -50.21 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.348 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.728 ' HB2' ' CB ' ' A' ' 88' ' ' ALA . . . -47.24 -56.8 6.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.705 ' CE2' ' CB ' ' A' ' 63' ' ' ASP . 4.6 t80 -45.06 -31.11 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.948 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.783 HD11 HD11 ' A' ' 59' ' ' ILE . 12.3 mt -81.75 -73.11 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.291 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.485 ' NE2' ' CG1' ' A' ' 74' ' ' VAL . 44.4 mt-30 -49.7 -56.71 9.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.505 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 16.8 mmmt -38.85 -48.09 1.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.428 ' HA ' HD22 ' A' ' 80' ' ' LEU . 0.2 OUTLIER -70.81 -54.09 12.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.263 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -40.26 -60.41 1.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.416 ' O ' ' CG ' ' A' ' 83' ' ' GLU . 1.5 pt-20 -113.46 -99.41 0.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.416 ' CG ' ' O ' ' A' ' 82' ' ' GLU . 31.5 mt-10 -156.47 -73.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.256 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 15.2 t30 63.62 69.51 0.79 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.29 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 55.06 3.82 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.432 1.754 . . . . 0.0 110.966 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.455 ' O ' HG23 ' A' ' 95' ' ' ILE . 1.8 tp10 -138.97 -62.07 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.346 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.475 ' HB2' ' HG ' ' A' ' 91' ' ' LEU . . . -178.81 -92.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.728 ' CB ' ' HB2' ' A' ' 75' ' ' ALA . . . -176.91 56.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.524 ' NE2' ' HB2' ' A' ' 5' ' ' GLN . 2.2 pt20 40.05 51.24 2.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -176.29 51.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 1.008 HD13 ' O ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -147.53 142.12 26.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.597 ' N ' HD22 ' A' ' 91' ' ' LEU . 7.1 ptm180 -159.44 56.27 0.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.667 ' HB2' ' HB2' ' A' ' 102' ' ' ALA . . . -171.37 -50.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 0.0 109.34 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.458 ' O ' HD23 ' A' ' 91' ' ' LEU . 7.1 mtmt -150.55 141.02 22.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.455 HG23 ' O ' ' A' ' 86' ' ' GLU . 1.1 mp -57.06 -49.97 77.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.403 1.064 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 98' ' ' GLU . 2.8 tt0 -83.01 -58.97 2.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.6 m -67.47 71.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.962 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 96' ' ' GLU . 49.7 mt-10 -60.31 142.39 54.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.133 . . . . 0.0 110.22 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 176.74 115.09 0.14 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 56.29 4.18 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.429 1.752 . . . . 0.0 110.995 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -169.53 126.09 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.667 ' HB2' ' HB2' ' A' ' 93' ' ' ALA . . . -172.47 53.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.693 HG13 ' N ' ' A' ' 104' ' ' ALA . 1.3 p -58.86 -158.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.738 ' O ' HG23 ' A' ' 106' ' ' VAL . . . 173.07 -51.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.367 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 15.0 p-10 -59.54 87.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 104' ' ' ALA . 11.8 t -120.91 172.09 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.613 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.1 OUTLIER -146.78 -154.96 0.58 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.566 1.166 . . . . 0.0 110.219 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' A' ' 107' ' ' GLN . . . 78.43 37.11 0.19 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.409 ' O ' ' CG ' ' A' ' 109' ' ' ARG . 0.0 OUTLIER -127.68 58.64 1.48 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.484 1.115 . . . . 0.0 110.257 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.7 tp -147.26 149.96 33.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 26.3 mm-40 -136.88 -148.05 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 111' ' ' GLU . . . 179.96 163.6 1.08 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.465 1.103 . . . . 0.0 109.372 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -174.75 -58.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 110.316 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 55.83 168.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.971 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 11.1 tptp . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 -179.926 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.511 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 2.6 mtt . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.557 0.218 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.536 ' O ' ' CE2' ' A' ' 55' ' ' TYR . 18.3 Cg_endo -75.11 -86.14 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.498 1.788 . . . . 0.0 110.953 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.646 ' O ' HG13 ' A' ' 3' ' ' VAL . 4.8 p -173.71 47.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.48 ' N ' ' HB2' ' A' ' 7' ' ' GLU . 1.9 t -75.41 -177.69 3.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.33 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.451 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 2.7 tp-100 -53.17 -67.22 0.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.769 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -51.48 -19.76 1.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.48 ' HB2' ' N ' ' A' ' 4' ' ' THR . 0.3 OUTLIER -74.9 -42.68 57.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.323 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 1.055 ' CD1' HG13 ' A' ' 74' ' ' VAL . 4.9 mt -94.45 -4.15 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.574 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.8 mt -105.66 -41.16 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.595 1.184 . . . . 0.0 109.245 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.769 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -93.63 -35.29 12.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.02 -40.69 72.84 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.522 1.139 . . . . 0.0 111.056 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.0 OUTLIER -78.37 -53.31 14.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.484 0.755 . . . . 0.0 109.256 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.574 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -41.83 -46.42 3.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.62 -43.71 97.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.43 ' N ' ' O ' ' A' ' 12' ' ' ILE . 28.7 mt -65.2 -44.15 95.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.369 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.2 mt -54.32 -32.82 24.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.506 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 1.1 tm-20 -75.82 2.06 13.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -109.74 -39.69 5.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.738 HG12 ' OG ' ' A' ' 43' ' ' SER . 3.2 t -86.52 -60.08 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 109.306 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.616 HG22 ' OG ' ' A' ' 43' ' ' SER . 31.2 p -83.9 -22.18 31.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.424 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 74.5 21.5 78.68 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.475 1.109 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.512 HG22 ' N ' ' A' ' 23' ' ' GLU . 59.5 mt -80.42 167.0 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 0.752 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.512 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -71.67 151.03 93.52 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -49.5 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.475 1.776 . . . . 0.0 110.969 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.7 -25.35 67.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -62.46 -44.13 97.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.152 . . . . 0.0 110.317 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.47 ' N ' ' CD1' ' A' ' 27' ' ' ILE . 0.6 OUTLIER -64.39 135.51 27.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.419 ' C ' ' H ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -152.79 171.35 6.85 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 110.38 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.413 ' HD2' ' HB ' ' A' ' 28' ' ' THR . 18.3 Cg_endo -75.0 43.72 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.496 1.787 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.419 ' H ' ' C ' ' A' ' 28' ' ' THR . 1.6 mm-40 -139.36 9.06 2.47 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.518 1.137 . . . . 0.0 110.319 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.402 ' HB2' HG23 ' A' ' 70' ' ' VAL . 1.5 mmtt -74.31 167.16 22.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.84 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -128.06 11.58 6.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 109.988 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.573 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.5 t80 80.3 -36.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.538 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -136.74 -56.5 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.367 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.538 ' N ' HG12 ' A' ' 34' ' ' VAL . 4.5 t70 -38.58 -31.16 0.05 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.091 . . . . 0.0 109.269 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -105.56 -67.91 0.9 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.242 -179.909 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.8 mt -42.13 -55.17 3.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 68.07 12.75 8.92 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.676 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -93.21 -19.79 6.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.572 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 14.7 t0 89.06 -170.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.647 ' O ' HG23 ' A' ' 45' ' ' VAL . 45.0 p -85.58 1.37 49.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.966 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.06 -68.45 0.38 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.738 ' OG ' HG12 ' A' ' 19' ' ' VAL . 23.0 t -67.13 -47.85 69.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.978 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.441 ' SD ' ' CE1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -47.71 -31.69 5.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 111.016 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 41' ' ' SER . 1.8 t -65.37 -34.73 72.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.611 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.3 OUTLIER -72.84 -55.67 6.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.249 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.614 HD11 HG23 ' A' ' 20' ' ' THR . 3.9 mt -41.09 -41.81 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.568 1.167 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.958 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -75.01 -47.27 29.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -47.93 -25.89 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 54' ' ' LYS . 33.9 mt-30 -89.41 -60.72 1.87 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.117 . . . . 0.0 110.333 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.735 HG22 HG21 ' A' ' 57' ' ' VAL . 1.2 m -52.07 -37.39 53.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.385 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.958 ' OE1' ' HB1' ' A' ' 48' ' ' ALA . 13.7 mt-10 -75.41 -1.76 25.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.02 -63.19 1.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 109.319 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 50' ' ' GLN . 16.3 mtpt -45.29 -40.95 8.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 109.371 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.536 ' CE2' ' O ' ' A' ' 2' ' ' PRO . 0.9 OUTLIER -105.23 -40.65 5.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.892 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' VAL . . . 100.99 4.65 54.16 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.735 HG21 HG22 ' A' ' 51' ' ' THR . 16.2 m -40.69 149.22 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 0.748 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.406 ' O ' ' CG ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -99.29 104.64 16.57 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.572 1.17 . . . . 0.0 109.249 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.859 HD11 ' CG1' ' A' ' 77' ' ' ILE . 20.0 mt -152.33 72.73 7.63 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 169.84 21.73 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.453 1.765 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.62 -40.87 76.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.257 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -50.71 -21.79 1.78 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.588 ' CG ' ' CE2' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -113.19 -33.77 5.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.683 HD13 ' O ' ' A' ' 64' ' ' LEU . 0.7 OUTLIER -58.34 -17.47 20.27 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.467 1.105 . . . . 0.0 109.305 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.11 -37.73 61.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -76.6 -46.61 11.37 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.511 1.132 . . . . 0.0 111.048 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.914 ' HB3' HG22 ' A' ' 73' ' ' VAL . 20.7 mt -40.1 123.59 1.7 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 0.757 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.78 -39.72 3.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.256 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.84 HG22 ' HA ' ' A' ' 32' ' ' SER . 59.6 p -136.49 168.62 19.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.462 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.903 ' O ' HG23 ' A' ' 74' ' ' VAL . 13.9 t -49.4 -47.71 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -52.67 -36.2 48.03 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.488 1.117 . . . . 0.0 111.049 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.674 ' O ' HD22 ' A' ' 67' ' ' LEU . 6.6 t0 -81.6 -32.15 32.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.914 HG22 ' HB3' ' A' ' 67' ' ' LEU . 23.7 t -77.63 -14.0 14.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 1.055 HG13 ' CD1' ' A' ' 8' ' ' ILE . 83.7 t -95.62 -53.03 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.978 ' HB2' ' CB ' ' A' ' 88' ' ' ALA . . . -48.71 -58.34 4.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.892 ' CD2' HD21 ' A' ' 67' ' ' LEU . 1.6 m-85 -40.97 -29.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.859 ' CG1' HD11 ' A' ' 59' ' ' ILE . 14.6 mt -76.08 -78.21 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 81' ' ' GLU . 39.6 mt-30 -53.49 -52.98 57.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.336 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.815 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 0.4 OUTLIER -37.34 -39.76 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.0 -45.18 15.69 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.421 1.076 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.513 ' HG3' ' CG ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -52.08 -31.65 31.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.305 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.513 ' CG ' ' HG3' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -141.56 -100.91 0.14 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.433 1.083 . . . . 0.0 110.213 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 82' ' ' GLU . 36.6 mt-10 -158.63 -73.32 0.08 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.425 ' N ' ' OE1' ' A' ' 82' ' ' GLU . 7.2 t30 59.87 69.55 1.22 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 55.0 3.84 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.458 1.767 . . . . 0.0 110.972 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -136.3 -62.84 0.65 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -172.79 -96.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.978 ' CB ' ' HB2' ' A' ' 75' ' ' ALA . . . -178.58 65.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.499 ' C ' ' O ' ' A' ' 88' ' ' ALA . 0.8 OUTLIER 30.31 55.69 0.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' A' ' 91' ' ' LEU . . . -155.58 -65.41 0.12 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.597 HD23 ' H ' ' A' ' 99' ' ' ASN . 0.3 OUTLIER 45.85 -170.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.706 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 10.4 mtp180 50.19 67.49 0.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.148 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.706 ' HB2' ' O ' ' A' ' 92' ' ' ARG . . . 161.4 -27.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 93' ' ' ALA . 0.0 OUTLIER 59.61 149.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.237 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.559 ' O ' HD13 ' A' ' 95' ' ' ILE . 0.2 OUTLIER -148.42 -50.36 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.449 ' N ' ' CG2' ' A' ' 95' ' ' ILE . 1.6 tt0 -120.07 -35.88 3.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.574 1.171 . . . . 0.0 110.266 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 175.91 38.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 109.943 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 99' ' ' ASN . 4.8 mm-40 -94.99 -155.11 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.597 ' H ' HD23 ' A' ' 91' ' ' LEU . 26.9 t-20 38.71 81.45 0.25 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -12.47 21.46 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.782 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.681 ' O ' ' HB3' ' A' ' 102' ' ' ALA . 2.9 t0 -170.67 -54.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.681 ' HB3' ' O ' ' A' ' 101' ' ' ASP . . . 83.24 35.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.681 HG13 ' N ' ' A' ' 104' ' ' ALA . 1.3 p -132.14 -158.96 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.361 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.681 ' N ' HG13 ' A' ' 103' ' ' VAL . . . 80.47 42.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.165 . . . . 0.0 109.243 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 30.2 p30 -50.02 177.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.45 HG12 ' N ' ' A' ' 107' ' ' GLN . 11.2 t -53.88 168.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.623 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 13.9 tt0 173.39 143.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.623 ' HB3' ' O ' ' A' ' 107' ' ' GLN . . . 78.22 24.51 0.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.404 ' HD2' ' CG1' ' A' ' 106' ' ' VAL . 0.1 OUTLIER -119.87 25.18 10.12 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.426 1.079 . . . . 0.0 110.355 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.0 tp -116.54 167.0 11.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -137.6 77.14 1.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -139.17 90.69 2.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.582 1.176 . . . . 0.0 109.38 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.51 -50.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.3 m 65.28 175.75 0.21 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.603 1.189 . . . . 0.0 110.019 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.1 ttpp . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 109.252 -179.982 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.535 ' CB ' ' HD3' ' A' ' 2' ' ' PRO . 1.6 mtt . . . . . 0 N--CA 1.452 -0.349 0 CA-C-O 120.482 0.182 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.535 ' HD3' ' CB ' ' A' ' 1' ' ' MET . 18.1 Cg_endo -75.04 168.66 24.31 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.506 1.793 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.746 HG12 ' O ' ' A' ' 3' ' ' VAL . 41.8 t 59.7 59.73 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.355 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.4 t -85.12 -177.06 6.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.371 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.548 ' HB2' HE22 ' A' ' 89' ' ' GLN . 0.8 OUTLIER -57.27 -65.09 0.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.342 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.799 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -51.5 -19.25 1.35 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -42.34 57.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.552 1.158 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 1.08 HG21 HG22 ' A' ' 74' ' ' VAL . 3.7 mt -95.51 -3.42 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.614 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.4 mt -107.19 -40.93 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.799 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -93.96 -35.95 12.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.09 -41.82 86.03 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.536 1.147 . . . . 0.0 111.049 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.0 OUTLIER -78.6 -52.99 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.55 0.794 . . . . 0.0 109.245 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.614 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -41.6 -49.41 4.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -59.11 -40.29 84.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.46 ' N ' ' O ' ' A' ' 12' ' ' ILE . 16.2 mt -66.48 -46.69 85.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.576 1.173 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.492 HD13 HD21 ' A' ' 37' ' ' LEU . 22.4 mt -55.35 -32.35 29.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 22' ' ' ILE . 1.1 tm-20 -75.42 2.2 12.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -109.37 -37.79 5.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.592 1.182 . . . . 0.0 110.316 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.745 HG12 ' OG ' ' A' ' 43' ' ' SER . 2.7 t -86.97 -58.03 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.496 HG22 ' CB ' ' A' ' 43' ' ' SER . 29.9 p -84.52 -27.35 27.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 110.372 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.14 28.47 58.28 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.447 1.092 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.491 HG22 ' N ' ' A' ' 23' ' ' GLU . 33.7 mt -90.57 166.23 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.491 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.6 OUTLIER -65.78 149.96 96.86 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.435 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 18.4 Cg_endo -75.02 -50.24 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.487 1.783 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.48 -26.53 68.76 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 110.037 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -60.86 -41.17 95.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.494 HG13 ' CE ' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -61.77 134.08 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.9 p -139.57 163.5 44.74 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.393 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 1.26 7.93 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.461 1.769 . . . . 0.0 110.948 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.05 7.01 46.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 1.174 . . . . 0.0 110.336 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.893 ' HZ3' HD21 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -59.73 172.33 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.245 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.561 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -134.6 15.31 3.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.966 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.561 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.3 t80 79.14 -37.31 0.18 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.125 . . . . 0.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.563 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.2 t -136.56 -56.75 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.363 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.563 ' N ' HG12 ' A' ' 34' ' ' VAL . 8.8 t70 -38.04 -31.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -104.01 -65.2 1.04 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.893 HD21 ' HZ3' ' A' ' 31' ' ' LYS . 64.1 mt -44.97 -55.31 5.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.364 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER 68.05 12.33 8.75 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.447 1.092 . . . . 0.0 109.348 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.724 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -95.88 -15.53 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.165 . . . . 0.0 109.249 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.59 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 6.4 t70 89.76 -171.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.4 p -89.56 -0.34 57.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.98 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.47 -71.4 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.745 ' OG ' HG12 ' A' ' 19' ' ' VAL . 9.8 t -60.7 -46.26 91.07 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 0.0 109.973 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.478 ' HG2' HD13 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -47.27 -34.08 6.25 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -60.16 -37.49 73.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.582 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -70.44 -55.04 9.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.52 HG13 HG21 ' A' ' 19' ' ' VAL . 4.5 mt -42.14 -40.29 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.429 ' HB1' ' OE2' ' A' ' 52' ' ' GLU . . . -75.08 -50.32 16.82 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.574 1.171 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.582 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -46.54 -27.33 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.242 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 54' ' ' LYS . 36.5 mt-30 -88.54 -60.01 2.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.3 m -52.09 -36.83 52.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.369 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.429 ' OE2' ' HB1' ' A' ' 48' ' ' ALA . 40.6 mt-10 -74.95 -4.18 36.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.261 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.9 -61.66 1.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 50' ' ' GLN . 6.1 mtpt -43.38 -41.12 4.01 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.606 ' CZ ' HG22 ' A' ' 3' ' ' VAL . 0.1 OUTLIER -101.0 -44.23 5.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.0 40.69 3.71 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.486 1.117 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.5 m -93.48 151.15 3.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.506 0.769 . . . . 0.0 109.225 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.13 118.15 34.08 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.534 HD11 ' CD1' ' A' ' 77' ' ' ILE . 9.1 mt -148.83 64.98 8.01 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.408 ' HD3' ' N ' ' A' ' 59' ' ' ILE . 18.3 Cg_endo -74.98 174.27 13.07 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.47 1.774 . . . . 0.0 111.02 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.407 ' C ' ' N ' ' A' ' 63' ' ' ASP . 0.3 OUTLIER -53.35 -39.58 64.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.265 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -41.88 -26.99 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.713 ' CB ' ' CE2' ' A' ' 76' ' ' TYR . 0.2 OUTLIER -120.3 -44.49 2.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.501 HD23 HG22 ' A' ' 59' ' ' ILE . 0.8 OUTLIER -47.83 -25.0 1.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 63' ' ' ASP . . . -70.64 -41.29 72.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . -78.6 -44.16 11.1 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.496 1.122 . . . . 0.0 110.955 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.952 ' HB3' HG22 ' A' ' 73' ' ' VAL . 10.5 mt -39.25 124.77 1.56 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.603 0.825 . . . . 0.0 109.278 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.43 -42.27 2.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.932 ' O ' HG23 ' A' ' 73' ' ' VAL . 68.9 p -129.19 176.02 8.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.428 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 74' ' ' VAL . 4.0 t -59.11 -45.95 92.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.71 -23.13 42.94 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.502 1.126 . . . . 0.0 110.94 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.608 ' O ' HD22 ' A' ' 67' ' ' LEU . 3.6 t0 -93.86 -31.45 14.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 0.746 . . . . 0.0 109.374 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.952 HG22 ' HB3' ' A' ' 67' ' ' LEU . 16.6 t -82.93 -13.01 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 1.08 HG22 HG21 ' A' ' 8' ' ' ILE . 43.8 t -99.4 -50.23 10.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.24 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.512 ' HB1' ' HG3' ' A' ' 79' ' ' LYS . . . -44.1 -57.86 3.16 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.713 ' CE2' ' CB ' ' A' ' 63' ' ' ASP . 4.0 t80 -47.79 -24.16 0.91 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.534 ' CD1' HD11 ' A' ' 59' ' ' ILE . 1.8 mt -83.42 -75.89 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 81' ' ' GLU . 14.6 mt-30 -52.08 -53.56 40.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.279 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.512 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 8.5 mmmt -40.26 -53.98 2.44 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.481 1.113 . . . . 0.0 109.234 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 76' ' ' TYR . 0.3 OUTLIER -60.49 -41.74 94.88 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 78' ' ' GLN . 0.0 OUTLIER -53.02 -65.62 0.53 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.23 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.408 ' O ' ' CG ' ' A' ' 83' ' ' GLU . 0.8 OUTLIER -125.1 -98.81 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.414 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 30.4 mt-10 -156.23 -72.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.231 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.414 ' CB ' ' O ' ' A' ' 83' ' ' GLU . 2.1 t-20 75.44 114.92 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -28.35 9.27 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.513 1.796 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.721 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -54.16 -43.37 70.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.36 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.721 ' HB3' ' O ' ' A' ' 86' ' ' GLU . . . 86.22 46.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.482 ' CB ' ' HB2' ' A' ' 75' ' ' ALA . . . 62.95 124.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.627 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 0.5 OUTLIER -55.54 154.77 6.14 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.534 1.147 . . . . 0.0 110.318 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.627 ' HB3' ' O ' ' A' ' 89' ' ' GLN . . . 79.44 43.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 1.002 HD13 ' O ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -145.91 151.88 38.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.403 1.065 . . . . 0.0 109.296 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.69 ' N ' HD22 ' A' ' 91' ' ' LEU . 0.1 OUTLIER 179.19 45.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -156.73 -66.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.543 ' O ' HD23 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -106.37 176.93 5.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.47 ' O ' ' HB1' ' A' ' 87' ' ' ALA . 23.5 mm -64.17 -63.25 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.46 -80.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 110.338 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.61 126.13 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.984 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.7 19.16 1.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.407 ' O ' ' CG ' ' A' ' 99' ' ' ASN . 15.3 p-10 -51.25 113.0 3.44 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -15.09 20.9 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.57 1.826 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.673 ' O ' ' HB3' ' A' ' 102' ' ' ALA . 1.1 t70 -171.22 -60.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 101' ' ' ASP . . . 83.41 44.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.591 1.182 . . . . 0.0 109.25 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.515 HG12 ' N ' ' A' ' 104' ' ' ALA . 21.7 t -143.19 169.83 11.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.515 ' N ' HG12 ' A' ' 103' ' ' VAL . . . -103.15 -62.99 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.363 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 47.7 t30 175.99 147.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.419 HG12 ' H ' ' A' ' 107' ' ' GLN . 2.5 t -124.4 167.63 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.498 ' O ' ' HB2' ' A' ' 108' ' ' ALA . 53.6 tt0 -145.05 117.33 8.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.498 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . 175.14 40.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 109.245 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -128.23 64.91 1.39 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.318 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 19.5 tp -45.29 -73.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.222 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -131.02 -148.12 0.35 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -178.23 68.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -106.4 -62.53 1.38 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 115' ' ' LYS . 3.9 m 62.16 143.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.561 1.163 . . . . 0.0 109.97 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 114' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.584 1.177 . . . . 0.0 109.296 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.413 ' N ' ' HD3' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.366 0 CA-C-O 120.529 0.204 . . . . 0.0 111.042 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.413 ' HD3' ' N ' ' A' ' 1' ' ' MET . 18.4 Cg_endo -74.95 -173.79 1.69 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.489 1.784 . . . . 0.0 110.935 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -108.19 159.11 7.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.475 1.11 . . . . 0.0 109.37 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.419 HG23 ' N ' ' A' ' 5' ' ' GLN . 0.4 OUTLIER -173.03 168.76 4.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.445 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.419 ' N ' HG23 ' A' ' 4' ' ' THR . 1.5 tp60 -48.76 -68.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.741 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -49.73 -20.86 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 5' ' ' GLN . 0.3 OUTLIER -75.47 -42.74 52.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.331 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.979 HD12 HG13 ' A' ' 74' ' ' VAL . 4.2 mt -92.49 -4.07 10.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.715 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.7 mt -105.94 -39.84 5.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.347 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.741 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -95.38 -39.8 9.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.58 -41.32 96.16 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.3 mt -78.96 -49.95 19.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.504 0.767 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.715 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -40.09 -47.26 2.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -63.66 -41.09 98.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.494 ' N ' ' O ' ' A' ' 12' ' ' ILE . 84.8 mt -63.53 -43.89 98.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.668 HD12 HG12 ' A' ' 27' ' ' ILE . 17.6 mt -58.78 -35.01 53.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.508 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 1.9 tm-20 -74.78 1.51 12.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.517 1.136 . . . . 0.0 110.253 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -108.33 -39.77 5.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.242 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.773 HG12 ' OG ' ' A' ' 43' ' ' SER . 3.2 t -85.57 -61.08 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.088 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.512 HG22 ' OG ' ' A' ' 43' ' ' SER . 39.9 p -81.46 -27.24 34.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.167 . . . . 0.0 110.388 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.04 23.17 64.23 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.509 1.13 . . . . 0.0 110.986 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.508 ' O ' ' CB ' ' A' ' 17' ' ' GLU . 35.9 mt -85.47 166.22 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.561 0.8 . . . . 0.0 109.369 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.498 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -66.38 148.38 98.58 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 110.305 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.566 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 18.3 Cg_endo -74.99 -49.73 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.444 1.76 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -24.51 67.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.985 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.409 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 7.6 tt0 -60.38 -40.57 91.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.842 ' O ' HG23 ' A' ' 28' ' ' THR . 0.7 OUTLIER -61.09 149.01 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.842 HG23 ' O ' ' A' ' 27' ' ' ILE . 0.7 OUTLIER -165.23 166.3 10.77 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.432 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 46.43 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.58 1.832 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -136.66 -25.21 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.237 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -43.71 163.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.806 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -124.56 13.86 8.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.99 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.603 ' CE1' ' SD ' ' A' ' 44' ' ' MET . 1.5 t80 80.7 -36.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.55 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -137.41 -56.41 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.55 ' N ' HG12 ' A' ' 34' ' ' VAL . 7.3 t0 -37.9 -32.13 0.06 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.428 1.08 . . . . 0.0 109.256 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -105.65 -67.65 0.91 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.524 HD12 ' O ' ' A' ' 33' ' ' PHE . 67.7 mt -40.24 -54.63 2.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.72 13.16 9.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.673 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -94.5 -16.55 7.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.573 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 1.8 t70 88.39 -171.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.432 ' O ' HG23 ' A' ' 45' ' ' VAL . 53.4 p -88.0 -0.21 56.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.089 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.21 -68.03 0.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 109.265 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.773 ' OG ' HG12 ' A' ' 19' ' ' VAL . 17.1 t -65.43 -49.46 69.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.013 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.603 ' SD ' ' CE1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -46.44 -34.21 4.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 41' ' ' SER . 0.9 OUTLIER -61.6 -35.33 66.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 109.234 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.581 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -72.11 -54.88 8.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.256 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.5 HD11 HG23 ' A' ' 20' ' ' THR . 3.3 mt -41.56 -41.58 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.998 ' HB1' ' OE2' ' A' ' 52' ' ' GLU . . . -75.02 -51.46 13.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.581 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -46.41 -25.61 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 54' ' ' LYS . 38.8 mt-30 -88.93 -60.61 1.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.403 HG22 HG21 ' A' ' 57' ' ' VAL . 1.1 m -51.82 -38.34 55.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.451 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.998 ' OE2' ' HB1' ' A' ' 48' ' ' ALA . 11.5 mt-10 -74.76 -1.63 22.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 110.262 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.12 -63.63 1.39 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 50' ' ' GLN . 1.4 mttp -43.82 -40.92 4.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -105.09 -47.26 4.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.98 36.14 4.03 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.678 HG22 ' HA ' ' A' ' 52' ' ' GLU . 15.5 m -73.2 149.95 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.753 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.52 96.72 10.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.916 HD11 ' CD1' ' A' ' 77' ' ' ILE . 31.3 mt -143.42 71.14 17.82 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.235 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 168.75 24.15 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.533 1.807 . . . . 0.0 111.023 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.9 -41.13 70.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -51.32 -20.74 1.82 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.6 ' CG ' ' CE2' ' A' ' 76' ' ' TYR . 1.0 OUTLIER -113.6 -34.86 5.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.343 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.64 HD13 ' O ' ' A' ' 64' ' ' LEU . 0.7 OUTLIER -60.36 -15.74 28.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.344 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.76 -39.07 45.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -76.35 -48.78 8.94 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.568 1.168 . . . . 0.0 111.074 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.999 HD21 ' CD2' ' A' ' 76' ' ' TYR . 43.2 mt -39.72 128.17 2.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 0.792 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.86 -41.79 2.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.806 HG22 ' HA ' ' A' ' 32' ' ' SER . 77.6 p -132.95 161.52 34.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 110.363 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.704 ' O ' HG23 ' A' ' 74' ' ' VAL . 22.7 t -45.13 -47.98 3.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -50.9 -35.5 32.09 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.5 1.125 . . . . 0.0 110.923 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.616 ' O ' HD22 ' A' ' 67' ' ' LEU . 8.0 t0 -83.27 -34.93 25.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 0.754 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.93 HG22 ' HB3' ' A' ' 67' ' ' LEU . 23.8 t -73.12 -13.57 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.979 HG13 HD12 ' A' ' 8' ' ' ILE . 78.1 t -95.56 -59.28 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.583 1.177 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 1.009 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -43.8 -55.19 4.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.312 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.999 ' CD2' HD21 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -43.79 -26.65 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 111.021 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.916 ' CD1' HD11 ' A' ' 59' ' ' ILE . 2.4 mt -86.8 -76.35 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -46.67 -52.5 13.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 110.355 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.59 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 1.8 mmmp? -49.51 -41.04 39.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.622 HD23 ' O ' ' A' ' 76' ' ' TYR . 0.2 OUTLIER -55.89 -40.52 73.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.433 ' O ' ' CB ' ' A' ' 82' ' ' GLU . 24.2 mm-40 -83.34 -89.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.334 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.433 ' CB ' ' O ' ' A' ' 81' ' ' GLU . 1.4 pt-20 165.76 89.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.274 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -128.71 -74.78 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.346 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -118.6 80.45 17.0 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 54.97 3.82 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.495 1.787 . . . . 0.0 110.96 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.755 ' O ' HG23 ' A' ' 95' ' ' ILE . 0.7 OUTLIER -135.48 -70.55 0.48 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.343 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.529 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . . . -165.86 119.26 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 1.009 ' HB2' ' HB2' ' A' ' 75' ' ' ALA . . . -49.37 176.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.412 1.07 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.569 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -72.73 79.43 1.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.569 1.168 . . . . 0.0 110.273 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.569 ' HB2' ' O ' ' A' ' 89' ' ' GLN . . . 171.39 54.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 109.354 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.73 HD22 ' C ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -145.39 136.07 24.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.2 ptt180 -155.41 42.93 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.256 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.719 ' HB3' ' HB3' ' A' ' 98' ' ' GLU . . . -177.58 -65.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -116.58 171.8 7.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.234 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.755 HG23 ' O ' ' A' ' 86' ' ' GLU . 2.1 mp -91.17 -41.27 13.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -70.47 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.275 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.67 117.72 0.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.417 1.073 . . . . 0.0 110.002 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.719 ' HB3' ' HB3' ' A' ' 93' ' ' ALA . 0.9 OUTLIER -147.39 -43.96 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.589 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 0.1 OUTLIER -48.98 -47.23 75.01 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 99' ' ' ASN . 18.0 Cg_endo -75.06 55.53 4.01 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.497 1.788 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.667 ' O ' ' HB3' ' A' ' 102' ' ' ALA . 6.9 t0 -165.97 -55.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 101' ' ' ASP . . . 81.77 47.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.767 HG22 ' H ' ' A' ' 104' ' ' ALA . 2.8 p 48.64 -166.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.233 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.767 ' H ' HG22 ' A' ' 103' ' ' VAL . . . -97.9 -61.43 1.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 40.8 t30 176.55 176.5 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.551 HG12 ' H ' ' A' ' 107' ' ' GLN . 10.5 t -110.06 172.59 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.551 ' H ' HG12 ' A' ' 106' ' ' VAL . 3.5 tp60 -79.99 -149.68 0.06 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 109' ' ' ARG . . . -111.13 19.19 18.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 108' ' ' ALA . 0.3 OUTLIER 38.42 59.78 1.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.237 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.4 tp -112.97 143.41 44.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -148.69 117.61 6.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 110.247 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -40.89 140.41 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -99.5 -59.49 1.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 25.4 t 54.13 170.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.05 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.256 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.441 ' CG ' ' HD2' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.479 0.18 . . . . 0.0 111.025 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.441 ' HD2' ' CG ' ' A' ' 1' ' ' MET . 18.4 Cg_endo -75.08 -61.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.434 1.755 . . . . 0.0 111.0 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.598 ' O ' HG13 ' A' ' 3' ' ' VAL . 9.0 p -151.19 50.6 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.168 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.472 ' N ' ' HB2' ' A' ' 7' ' ' GLU . 4.4 t -75.71 -176.3 3.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.413 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.449 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 4.4 tp60 -54.11 -67.06 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.759 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -51.59 -19.7 1.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.472 ' HB2' ' N ' ' A' ' 4' ' ' THR . 1.1 mm-40 -75.06 -43.01 55.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.349 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 1.062 ' CD1' HG13 ' A' ' 74' ' ' VAL . 4.8 mt -94.06 -4.07 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 109.214 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.614 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.7 mt -105.55 -41.52 6.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.382 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.759 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -93.55 -36.54 12.36 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.44 1.087 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.64 -42.58 79.81 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.386 1.054 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.0 OUTLIER -76.61 -53.27 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.557 0.798 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.614 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -40.45 -48.17 2.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.357 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -59.06 -43.03 91.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.472 ' N ' ' O ' ' A' ' 12' ' ' ILE . 59.7 mt -66.31 -45.96 88.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.519 HD12 ' CG1' ' A' ' 27' ' ' ILE . 39.8 mt -53.93 -30.95 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 22' ' ' ILE . 2.9 tm-20 -77.99 4.05 13.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.152 . . . . 0.0 110.276 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -109.91 -42.78 4.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 0.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.716 HG12 ' OG ' ' A' ' 43' ' ' SER . 3.5 t -80.43 -60.64 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.619 HG22 ' OG ' ' A' ' 43' ' ' SER . 32.3 p -82.03 -29.12 32.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.342 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.63 20.33 64.09 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.506 ' O ' ' CG ' ' A' ' 17' ' ' GLU . 50.8 mt -82.39 165.87 2.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.521 0.777 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.495 ' N ' HG22 ' A' ' 22' ' ' ILE . 3.8 mt-10 -67.74 148.8 98.49 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.241 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.466 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 18.5 Cg_endo -75.07 -50.17 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.484 1.781 . . . . 0.0 111.034 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.91 -25.37 66.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.001 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -63.84 -44.01 94.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.581 1.176 . . . . 0.0 110.355 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.519 ' CG1' HD12 ' A' ' 16' ' ' ILE . 0.8 OUTLIER -60.82 124.26 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.409 1.068 . . . . 0.0 109.315 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.452 ' C ' ' H ' ' A' ' 30' ' ' GLU . 1.1 p -137.92 165.78 31.11 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.358 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.436 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 18.3 Cg_endo -75.0 40.71 0.68 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.56 1.821 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.452 ' H ' ' C ' ' A' ' 28' ' ' THR . 1.8 mm-40 -137.58 6.78 2.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.43 ' O ' HG22 ' A' ' 69' ' ' THR . 1.5 mttt -68.09 169.05 10.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.741 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -129.06 11.59 6.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 109.948 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.567 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.4 t80 80.13 -35.78 0.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.551 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -137.33 -56.59 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.551 ' N ' HG12 ' A' ' 34' ' ' VAL . 19.1 t0 -38.34 -31.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -105.66 -67.86 0.9 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.4 HD11 ' CE ' ' A' ' 44' ' ' MET . 43.9 mt -41.55 -55.39 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 68.31 14.25 9.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.127 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.708 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -95.08 -18.91 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.582 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 5.3 t70 89.8 -172.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.26 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.4 p -85.78 3.35 41.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.969 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -68.41 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.716 ' OG ' HG12 ' A' ' 19' ' ' VAL . 25.7 t -66.08 -49.67 66.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.904 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.4 ' CE ' HD11 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -47.07 -30.16 2.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.949 -179.924 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -65.35 -35.99 76.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.466 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.3 OUTLIER -72.02 -56.01 6.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.259 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.533 HG13 HG21 ' A' ' 19' ' ' VAL . 2.7 mt -39.57 -43.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.811 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -72.95 -49.33 29.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.41 1.069 . . . . 0.0 109.345 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.466 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -48.23 -25.25 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 54' ' ' LYS . 38.2 mt-30 -89.98 -60.51 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.644 HG22 HG21 ' A' ' 57' ' ' VAL . 1.2 m -51.97 -37.76 54.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.358 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.811 ' OE1' ' HB1' ' A' ' 48' ' ' ALA . 16.8 mt-10 -75.7 -1.17 23.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.442 1.089 . . . . 0.0 110.365 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.89 -62.38 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 50' ' ' GLN . 47.1 mttt -44.06 -41.14 5.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -106.48 -48.48 3.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 110.961 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 107.56 17.35 11.38 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.517 1.135 . . . . 0.0 110.955 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.644 HG21 HG22 ' A' ' 51' ' ' THR . 20.5 m -54.17 149.52 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 0.786 . . . . 0.0 109.263 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -94.42 100.65 12.62 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.712 ' O ' HG22 ' A' ' 59' ' ' ILE . 37.8 mt -149.37 64.43 7.26 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.414 ' HD3' ' N ' ' A' ' 59' ' ' ILE . 18.6 Cg_endo -74.96 169.22 23.09 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.527 1.803 . . . . 0.0 111.087 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.55 -42.04 32.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -51.73 -20.95 2.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.26 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.59 ' CG ' ' CE2' ' A' ' 76' ' ' TYR . 0.7 OUTLIER -113.8 -34.18 5.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.424 1.077 . . . . 0.0 109.304 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.587 HD13 ' O ' ' A' ' 64' ' ' LEU . 0.8 OUTLIER -60.6 -15.56 29.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.01 -37.52 46.88 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -80.54 -45.75 7.76 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.446 1.091 . . . . 0.0 111.006 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.929 HD21 ' CD2' ' A' ' 76' ' ' TYR . 15.7 mt -39.94 121.34 1.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 0.765 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.41 -40.44 3.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.803 ' O ' HG23 ' A' ' 73' ' ' VAL . 69.4 p -134.42 171.97 13.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.409 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.938 ' O ' HG23 ' A' ' 74' ' ' VAL . 11.1 t -53.73 -45.67 61.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -53.78 -39.3 61.38 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.509 1.131 . . . . 0.0 111.026 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.6 ' O ' HD22 ' A' ' 67' ' ' LEU . 7.3 t0 -79.06 -30.11 43.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 0.76 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.887 HG22 ' HB3' ' A' ' 67' ' ' LEU . 46.2 t -80.13 -14.7 13.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 1.062 HG13 ' CD1' ' A' ' 8' ' ' ILE . 70.7 t -96.75 -53.72 7.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.862 ' HB2' ' CB ' ' A' ' 88' ' ' ALA . . . -48.67 -56.85 7.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.929 ' CD2' HD21 ' A' ' 67' ' ' LEU . 1.1 m-30 -41.52 -27.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.977 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.476 HG12 HD11 ' A' ' 59' ' ' ILE . 2.9 mt -81.28 -78.12 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 81' ' ' GLU . 31.5 mt-30 -50.72 -51.06 53.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.344 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.701 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 1.3 mmmp? -39.86 -52.55 2.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.98 -41.07 97.64 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 78' ' ' GLN . 19.1 mt-10 -61.22 -72.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.08 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.463 ' O ' ' CG ' ' A' ' 83' ' ' GLU . 3.4 mt-10 -109.42 -99.95 0.39 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' A' ' 82' ' ' GLU . 33.7 mt-10 -158.62 -75.3 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.405 ' CB ' ' O ' ' A' ' 83' ' ' GLU . 11.7 t30 74.89 80.54 0.15 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.075 . . . . 0.0 109.255 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 5.14 4.19 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.492 1.785 . . . . 0.0 111.062 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.743 ' O ' ' HB2' ' A' ' 87' ' ' ALA . 1.1 tt0 -71.12 -71.75 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.366 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.743 ' HB2' ' O ' ' A' ' 86' ' ' GLU . . . 157.35 47.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.862 ' CB ' ' HB2' ' A' ' 75' ' ' ALA . . . 40.96 34.14 0.26 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 57.54 86.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.34 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.828 ' HB3' ' HD3' ' A' ' 94' ' ' LYS . . . -176.7 -60.0 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.977 HD22 ' HD3' ' A' ' 100' ' ' PRO . 6.1 mt 50.18 -179.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.613 1.196 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.706 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 39.0 mtp85 51.15 74.41 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 92' ' ' ARG . . . 86.2 64.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.828 ' HD3' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -91.44 166.3 12.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.355 179.913 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.428 ' C ' ' O ' ' A' ' 94' ' ' LYS . 1.3 tp -38.73 -34.59 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.59 -85.26 0.18 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.624 1.203 . . . . 0.0 110.33 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 168.01 41.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.929 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.404 ' HB3' ' CD2' ' A' ' 91' ' ' LEU . 1.4 mp0 -59.53 -99.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 110.277 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 11.9 t30 54.46 93.66 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.977 ' HD3' HD22 ' A' ' 91' ' ' LEU . 18.4 Cg_endo -75.04 -18.79 18.37 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.531 1.806 . . . . 0.0 111.036 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -171.96 127.16 0.59 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.439 1.087 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -178.11 45.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.348 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.701 HG13 ' N ' ' A' ' 104' ' ' ALA . 1.2 p -98.68 -158.68 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.418 1.074 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.701 ' N ' HG13 ' A' ' 103' ' ' VAL . . . 79.64 33.07 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 109.241 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -48.45 151.77 1.03 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.353 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -123.29 -177.32 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.665 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 2.5 tp60 -103.27 58.34 0.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.254 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.665 ' HB3' ' O ' ' A' ' 107' ' ' GLN . . . 83.35 38.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.504 ' C ' ' O ' ' A' ' 108' ' ' ALA . 0.0 OUTLIER 30.52 56.88 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.419 1.074 . . . . 0.0 110.3 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 15.3 tp -150.47 159.48 44.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 52.88 92.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.323 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -125.58 61.2 1.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -168.43 -58.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.563 1.164 . . . . 0.0 110.335 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 27.8 t 63.78 125.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.526 1.142 . . . . 0.0 109.928 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 10.0 tttp . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.347 179.945 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.491 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.507 0.194 . . . . 0.0 111.031 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.5 Cg_endo -74.97 -88.53 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.497 1.788 . . . . 0.0 111.059 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.572 HG22 HD11 ' A' ' 8' ' ' ILE . 7.4 p -176.15 54.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.38 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.566 HG22 ' OE1' ' A' ' 7' ' ' GLU . 1.3 t -78.1 -174.31 3.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.347 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.61 HE22 ' CB ' ' A' ' 89' ' ' GLN . 2.9 tp-100 -54.31 -66.77 0.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.747 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -51.3 -19.84 1.44 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.566 ' OE1' HG22 ' A' ' 4' ' ' THR . 0.6 OUTLIER -74.41 -42.57 58.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.818 ' CD1' HG13 ' A' ' 74' ' ' VAL . 5.0 mt -94.98 -3.65 10.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.602 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.8 mt -105.96 -41.54 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.747 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -93.81 -36.36 12.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.242 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.87 -42.41 78.71 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.439 1.087 . . . . 0.0 110.978 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 15' ' ' ILE . 0.8 OUTLIER -76.91 -53.5 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 0.755 . . . . 0.0 109.229 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.602 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -41.07 -47.68 3.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -58.53 -45.22 89.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.252 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.427 ' N ' ' O ' ' A' ' 12' ' ' ILE . 54.8 mt -65.32 -45.26 93.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 109.221 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.538 HD12 HG12 ' A' ' 27' ' ' ILE . 22.3 mt -53.12 -33.54 20.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.503 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 22.3 tt0 -75.54 1.81 13.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -105.79 -49.39 3.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.885 HG12 ' OG ' ' A' ' 43' ' ' SER . 2.9 t -76.96 -67.4 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.69 HG22 ' HB3' ' A' ' 43' ' ' SER . 43.2 p -73.63 -32.86 64.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.23 24.03 49.31 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.45 1.094 . . . . 0.0 111.02 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.503 ' O ' ' CB ' ' A' ' 17' ' ' GLU . 38.5 mt -82.43 166.04 2.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 0.764 . . . . 0.0 109.272 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.497 ' N ' HG22 ' A' ' 22' ' ' ILE . 1.2 mt-10 -69.41 153.42 95.84 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.417 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 18.3 Cg_endo -75.02 -49.88 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.441 1.758 . . . . 0.0 110.943 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.02 -21.79 65.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.162 . . . . 0.0 110.013 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.46 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 20.3 tt0 -62.21 -45.42 93.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 110.335 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.538 HG12 HD12 ' A' ' 16' ' ' ILE . 0.7 OUTLIER -62.49 132.82 28.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.253 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.432 ' C ' ' H ' ' A' ' 30' ' ' GLU . 1.3 p -144.56 164.7 26.71 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 110.401 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.403 ' HB3' HD11 ' A' ' 9' ' ' ILE . 18.2 Cg_endo -74.98 42.7 0.87 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.491 1.785 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.432 ' H ' ' C ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -141.18 9.49 2.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.145 . . . . 0.0 110.348 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -71.38 165.97 22.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.715 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -125.89 13.4 7.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.018 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.562 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.1 t80 79.42 -33.82 0.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.564 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -138.18 -57.68 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.564 ' N ' HG12 ' A' ' 34' ' ' VAL . 10.5 t0 -37.39 -32.74 0.05 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -104.95 -66.67 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.231 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.2 mt -43.71 -54.23 5.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 109.347 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 34' ' ' VAL . 1.6 t0 65.81 15.88 10.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.685 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -97.98 -17.78 6.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.919 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.567 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 1.7 t70 88.57 -169.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.665 ' O ' HG23 ' A' ' 45' ' ' VAL . 13.7 p -90.54 0.5 57.32 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.48 1.112 . . . . 0.0 110.041 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.09 -67.97 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.885 ' OG ' HG12 ' A' ' 19' ' ' VAL . 0.7 OUTLIER -65.62 -49.09 70.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.915 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.451 ' SD ' ' CE1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -47.35 -37.48 11.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 110.981 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 41' ' ' SER . 1.7 t -57.3 -35.49 49.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.546 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -73.67 -53.55 10.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.633 HD11 HG23 ' A' ' 20' ' ' THR . 2.4 mt -40.15 -43.44 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.48 -48.57 26.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.546 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -48.3 -27.56 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 54' ' ' LYS . 36.1 mt-30 -87.98 -58.39 2.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -51.13 -39.64 56.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.39 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.486 ' HA ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -75.68 -0.28 20.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.12 -63.84 1.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 50' ' ' GLN . 9.0 mtpt -50.59 -42.69 56.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -100.3 -48.54 4.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 111.007 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.23 29.53 6.71 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.432 1.082 . . . . 0.0 111.076 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.486 HG22 ' HA ' ' A' ' 52' ' ' GLU . 2.7 m -59.09 -171.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.514 0.773 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.499 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 0.5 OUTLIER -129.88 100.09 5.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 109.26 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.779 HD11 HD11 ' A' ' 77' ' ' ILE . 21.8 mt -156.38 78.25 4.17 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 167.75 26.35 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.475 1.776 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.12 -41.02 87.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -54.34 -18.41 4.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -112.26 -33.51 6.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.231 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.728 HD13 ' O ' ' A' ' 64' ' ' LEU . 1.0 OUTLIER -54.25 -20.01 6.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.27 -29.73 48.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -79.42 -50.42 5.73 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.554 1.159 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.935 ' HB3' HG22 ' A' ' 73' ' ' VAL . 10.2 mt -38.98 126.83 1.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.792 . . . . 0.0 109.317 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.61 -40.86 2.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.755 ' O ' HG23 ' A' ' 73' ' ' VAL . 40.7 p -135.09 171.27 14.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.405 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.561 ' O ' HG23 ' A' ' 74' ' ' VAL . 9.6 t -54.59 -41.43 55.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.66 -26.92 63.14 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.404 ' O ' HD22 ' A' ' 67' ' ' LEU . 6.9 t0 -90.46 -32.87 16.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 0.767 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.935 HG22 ' HB3' ' A' ' 67' ' ' LEU . 22.1 t -77.28 -13.73 14.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.818 HG13 ' CD1' ' A' ' 8' ' ' ILE . 53.9 t -98.53 -56.58 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.588 ' HB2' ' CB ' ' A' ' 88' ' ' ALA . . . -46.09 -57.34 4.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.267 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.865 ' CD2' HD21 ' A' ' 67' ' ' LEU . 3.2 m-85 -42.07 -30.7 0.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 111.045 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.779 HD11 HD11 ' A' ' 59' ' ' ILE . 3.1 mt -84.09 -74.95 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 81' ' ' GLU . 10.6 mt-30 -47.87 -56.85 6.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.344 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.519 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 35.3 mmtm -39.2 -54.23 1.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.465 ' HB3' ' HZ2' ' A' ' 58' ' ' LYS . 0.2 OUTLIER -63.98 -41.16 97.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 0.0 109.349 179.934 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 78' ' ' GLN . 5.2 mm-40 -59.21 -59.3 5.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.51 ' O ' ' CG ' ' A' ' 83' ' ' GLU . 0.3 OUTLIER -120.32 -101.69 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 82' ' ' GLU . 34.6 mt-10 -160.14 -73.05 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.254 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.431 ' N ' ' HD3' ' A' ' 85' ' ' PRO . 2.9 t30 66.44 63.67 0.87 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.431 ' HD3' ' N ' ' A' ' 84' ' ' ASN . 18.4 Cg_endo -74.99 52.25 3.0 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.531 1.806 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.86 ' CG ' HD11 ' A' ' 91' ' ' LEU . 9.8 tp10 -134.8 -69.25 0.52 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.165 . . . . 0.0 110.315 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.614 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . . . 178.71 137.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 0.0 109.248 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.588 ' CB ' ' HB2' ' A' ' 75' ' ' ALA . . . -73.96 58.03 0.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.61 ' CB ' HE22 ' A' ' 5' ' ' GLN . 0.0 OUTLIER 66.81 59.13 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.345 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -163.79 44.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.86 HD11 ' CG ' ' A' ' 86' ' ' GLU . 0.6 OUTLIER -82.85 -173.39 4.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.338 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 91' ' ' LEU . 11.4 mtm180 38.04 42.72 0.48 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -175.37 -42.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.353 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.22 140.94 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.25 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.544 ' O ' HD13 ' A' ' 95' ' ' ILE . 0.2 OUTLIER -119.02 -39.4 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.472 1.107 . . . . 0.0 109.253 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.414 ' HA ' ' OE2' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -136.41 -45.33 0.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 110.338 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.25 28.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.947 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.528 ' HB3' ' HB2' ' A' ' 87' ' ' ALA . 22.9 mp0 -96.1 -167.3 1.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 63.61 72.55 0.54 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -10.91 21.37 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.432 1.754 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -169.73 132.74 1.19 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 109.3 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.403 ' CB ' ' HA ' ' A' ' 92' ' ' ARG . . . -176.23 47.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.721 HG13 ' N ' ' A' ' 104' ' ' ALA . 0.9 OUTLIER -77.51 -158.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 0.0 109.35 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.721 ' N ' HG13 ' A' ' 103' ' ' VAL . . . 163.73 56.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -69.33 139.35 54.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.496 HG12 ' H ' ' A' ' 107' ' ' GLN . 2.8 t -146.92 170.22 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.593 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.0 OUTLIER -132.73 -155.08 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 107' ' ' GLN . . . 77.41 35.18 0.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -108.8 54.64 0.65 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 0.0 110.241 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 20.7 tp -124.68 140.71 52.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -130.05 -148.28 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 61.27 104.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -128.41 -66.36 0.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 18.6 p -171.27 172.33 5.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.99 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.8 tttt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.348 179.909 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.484 0.183 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.406 ' O ' ' CE1' ' A' ' 55' ' ' TYR . 18.4 Cg_endo -75.01 -162.69 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.526 1.803 . . . . 0.0 111.046 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.772 HG13 HD11 ' A' ' 8' ' ' ILE . 0.5 OUTLIER -142.25 106.72 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.699 HG22 ' H ' ' A' ' 5' ' ' GLN . 19.5 m -86.77 -177.23 6.06 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.421 1.075 . . . . 0.0 110.416 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.699 ' H ' HG22 ' A' ' 4' ' ' THR . 2.8 tp-100 -54.45 -67.98 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.336 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.785 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -49.79 -19.41 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.218 -179.913 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.77 ' HB3' HG22 ' A' ' 3' ' ' VAL . 0.0 OUTLIER -74.25 -43.18 58.02 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.565 1.166 . . . . 0.0 110.356 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 1.082 ' CD1' HG13 ' A' ' 74' ' ' VAL . 6.8 mt -95.19 -3.6 10.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.15 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.491 ' CD1' ' HG3' ' A' ' 5' ' ' GLN . 2.9 mt -106.1 -40.83 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.785 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -94.2 -34.77 12.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -71.47 -39.27 61.48 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.422 HG13 ' HA ' ' A' ' 8' ' ' ILE . 0.8 OUTLIER -76.76 -53.36 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.461 0.742 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.493 ' HB1' ' O ' ' A' ' 24' ' ' PRO . . . -41.43 -46.98 3.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -58.9 -46.7 87.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.34 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.6 mt -64.23 -43.72 97.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.443 HD12 ' CG1' ' A' ' 27' ' ' ILE . 10.8 mt -53.68 -31.61 20.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.473 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 1.8 tm-20 -78.07 3.22 15.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -108.48 -45.9 3.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.443 1.089 . . . . 0.0 110.243 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.902 HG12 ' OG ' ' A' ' 43' ' ' SER . 2.5 t -80.74 -67.0 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.733 HG22 ' HB3' ' A' ' 43' ' ' SER . 24.5 p -74.9 -25.39 58.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.397 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.19 23.9 70.1 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.555 1.159 . . . . 0.0 111.014 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.522 HG22 ' N ' ' A' ' 23' ' ' GLU . 59.0 mt -83.75 166.92 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 0.782 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.522 ' N ' HG22 ' A' ' 22' ' ' ILE . 2.9 mt-10 -69.39 150.7 97.03 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.493 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 18.4 Cg_endo -75.01 -49.68 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.02 -24.05 65.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.045 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -66.09 -48.28 71.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.338 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.462 HD11 HG21 ' A' ' 22' ' ' ILE . 0.7 OUTLIER -60.35 123.23 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.418 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 0.1 OUTLIER -133.22 170.32 11.69 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.39 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.459 ' HB3' HD11 ' A' ' 9' ' ' ILE . 18.3 Cg_endo -74.94 2.07 7.0 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.552 1.817 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -91.11 -9.73 44.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -56.25 164.96 1.15 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.373 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.709 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -125.69 17.7 8.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.977 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.628 ' O ' HD12 ' A' ' 37' ' ' LEU . 1.5 t80 80.27 -38.79 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.511 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.0 OUTLIER -138.53 -54.81 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.342 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.511 ' N ' HG12 ' A' ' 34' ' ' VAL . 17.3 t0 -38.16 -31.35 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.155 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.5 OUTLIER -107.28 -66.47 1.02 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.628 HD12 ' O ' ' A' ' 33' ' ' PHE . 78.0 mt -39.81 -55.01 2.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.289 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 68.11 10.9 8.11 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.567 1.167 . . . . 0.0 109.319 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.607 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -91.37 -19.53 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.226 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.59 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 2.0 t70 89.26 -171.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.348 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 95.1 p -89.77 3.84 51.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.035 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.25 -70.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.902 ' OG ' HG12 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -64.89 -43.33 93.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.028 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.488 ' SD ' ' CD1' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -52.36 -31.08 31.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 111.047 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.2 t -61.88 -38.67 81.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.593 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.2 OUTLIER -70.84 -55.44 8.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.289 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.708 HD11 HG23 ' A' ' 20' ' ' THR . 3.4 mt -39.27 -42.47 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.351 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.404 ' C ' ' N ' ' A' ' 50' ' ' GLN . . . -75.87 -46.73 28.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.593 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -48.31 -24.71 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 54' ' ' LYS . 34.8 mt-30 -90.08 -60.47 1.92 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.264 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -51.3 -39.27 56.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.417 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.62 ' HA ' HG22 ' A' ' 57' ' ' VAL . 20.8 mt-10 -74.41 -1.7 22.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.39 -61.51 1.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.414 1.071 . . . . 0.0 109.315 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' GLN . 1.4 mtpp -43.74 -42.46 5.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.49 ' CE2' HG23 ' A' ' 3' ' ' VAL . 0.2 OUTLIER -104.93 -50.48 3.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 105.0 39.27 2.34 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.62 HG22 ' HA ' ' A' ' 52' ' ' GLU . 3.7 m -73.45 151.3 7.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.517 0.775 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.97 113.54 27.15 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.469 1.106 . . . . 0.0 109.351 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.658 HD11 HG12 ' A' ' 77' ' ' ILE . 13.5 mt -150.66 76.18 8.29 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.435 1.084 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 170.0 21.38 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.502 1.791 . . . . 0.0 111.055 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.91 -40.16 79.7 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -46.55 -23.91 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.491 ' OD1' ' CD2' ' A' ' 76' ' ' TYR . 0.4 OUTLIER -113.67 -37.18 4.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.286 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.634 HD13 ' O ' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -55.51 -19.43 9.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.53 -40.34 76.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -80.56 -45.48 7.9 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.489 1.118 . . . . 0.0 110.941 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.912 ' HB3' HG22 ' A' ' 73' ' ' VAL . 14.8 mt -38.98 115.66 0.5 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.42 0.717 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.98 -37.84 4.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 110.355 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.821 ' O ' HG23 ' A' ' 73' ' ' VAL . 42.4 p -132.48 170.69 14.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.379 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.552 HG12 ' CG2' ' A' ' 74' ' ' VAL . 4.7 t -56.12 -55.41 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -43.03 -32.15 1.43 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.54 1.15 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.573 ' OD1' ' CE1' ' A' ' 76' ' ' TYR . 6.3 t0 -87.49 -37.27 17.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 0.749 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.912 HG22 ' HB3' ' A' ' 67' ' ' LEU . 39.7 t -74.68 -12.16 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 1.082 HG13 ' CD1' ' A' ' 8' ' ' ILE . 78.3 t -98.12 -58.23 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.76 ' HB3' ' HB1' ' A' ' 88' ' ' ALA . . . -49.52 -56.14 10.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.817 ' CD2' HD21 ' A' ' 67' ' ' LEU . 2.5 m-85 -41.41 -26.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 111.044 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.658 HG12 HD11 ' A' ' 59' ' ' ILE . 3.1 mt -75.21 -65.5 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.453 ' O ' ' C ' ' A' ' 79' ' ' LYS . 24.3 mt-30 -83.41 -62.66 1.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.584 ' CG ' ' HB1' ' A' ' 75' ' ' ALA . 15.5 mmtm -35.71 -41.62 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.316 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.533 ' CB ' ' O ' ' A' ' 76' ' ' TYR . 0.3 OUTLIER -71.98 -64.16 0.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -39.66 -28.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 0.0 110.255 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 80' ' ' LEU . 1.9 mt-10 -102.63 -95.67 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -155.51 -77.4 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.326 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.438 ' OD1' ' CE ' ' A' ' 79' ' ' LYS . 34.6 t30 70.33 74.38 0.26 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.161 . . . . 0.0 109.27 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 50.08 2.44 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.506 1.793 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.62 ' O ' HD13 ' A' ' 95' ' ' ILE . 1.2 tp10 -142.53 -69.37 0.35 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.337 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.522 ' CB ' ' CB ' ' A' ' 91' ' ' LEU . . . -178.69 -73.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.258 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.76 ' HB1' ' HB3' ' A' ' 75' ' ' ALA . . . -176.22 -161.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.604 ' H ' ' HB2' ' A' ' 75' ' ' ALA . 2.1 mt-30 -88.98 44.94 1.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -163.15 -65.28 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.609 HD12 ' O ' ' A' ' 94' ' ' LYS . 2.6 mm? -40.65 154.54 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -163.03 44.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -178.02 -61.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.609 ' O ' HD12 ' A' ' 91' ' ' LEU . 1.4 tttp -115.89 178.33 4.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.42 1.075 . . . . 0.0 109.353 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.62 HD13 ' O ' ' A' ' 86' ' ' GLU . 10.6 mm -89.52 -63.92 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.208 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 98' ' ' GLU . 0.0 OUTLIER -92.58 -38.33 11.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.244 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 98' ' ' GLU . 3.3 m -66.42 74.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.052 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.6 ' HA ' HD11 ' A' ' 91' ' ' LEU . 0.9 OUTLIER -36.73 145.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 110.282 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 99' ' ' ASN . 4.6 p-10 -39.66 100.11 0.21 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.405 ' N ' ' O ' ' A' ' 98' ' ' GLU . 18.3 Cg_endo -75.0 -5.95 17.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.534 1.807 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.61 ' O ' ' HB3' ' A' ' 102' ' ' ALA . 3.2 t0 -160.82 -45.49 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.61 ' HB3' ' O ' ' A' ' 101' ' ' ASP . . . 77.71 36.22 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.679 HG13 ' N ' ' A' ' 104' ' ' ALA . 1.3 p -127.63 -158.94 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.679 ' N ' HG13 ' A' ' 103' ' ' VAL . . . -115.31 -65.0 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.248 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -53.41 156.15 2.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 109.298 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.1 t -146.64 161.88 9.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.67 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.0 OUTLIER -130.22 -154.98 0.67 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 110.311 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 107' ' ' GLN . . . 81.56 43.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 109.341 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.429 ' NH2' ' O ' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -117.21 54.59 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.271 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.6 HD22 ' H ' ' A' ' 111' ' ' GLU . 2.3 tm? -132.02 134.06 45.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.563 1.164 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.6 ' H ' HD22 ' A' ' 110' ' ' LEU . 7.1 mm-40 -146.4 59.83 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.33 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 53.08 -179.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 0.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.56 -59.65 0.85 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 54.2 171.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.522 1.139 . . . . 0.0 109.999 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.282 -179.984 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.48 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 1.4 ttt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.525 0.203 . . . . 0.0 111.062 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.2 Cg_endo -75.09 -7.92 19.51 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.575 1.829 . . . . 0.0 111.012 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.726 ' O ' HG13 ' A' ' 3' ' ' VAL . 8.9 p -141.4 76.57 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.616 HG22 ' CD ' ' A' ' 7' ' ' GLU . 6.6 t -84.05 -174.38 5.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.414 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.507 ' HB2' ' NE2' ' A' ' 89' ' ' GLN . 2.5 tp-100 -57.92 -65.17 0.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.751 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -51.52 -19.01 1.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.587 1.179 . . . . 0.0 110.251 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.616 ' CD ' HG22 ' A' ' 4' ' ' THR . 0.0 OUTLIER -75.32 -45.03 42.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 110.322 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 1.092 HD12 HG13 ' A' ' 74' ' ' VAL . 4.1 mt -91.77 -3.57 10.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.373 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.595 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.7 mt -105.36 -42.15 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.395 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.751 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -93.32 -36.44 12.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.36 -41.94 83.92 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.458 1.099 . . . . 0.0 110.94 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.447 HD11 HG21 ' A' ' 51' ' ' THR . 1.0 OUTLIER -77.58 -53.46 14.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.509 0.77 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.595 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -41.5 -49.96 3.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -57.37 -43.17 83.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 12' ' ' ILE . 98.9 mt -66.4 -47.75 83.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.68 HD12 ' CG1' ' A' ' 27' ' ' ILE . 21.8 mt -53.33 -34.12 22.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.227 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.479 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 0.1 OUTLIER -76.44 3.67 10.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -110.79 -47.4 3.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.733 HG12 ' OG ' ' A' ' 43' ' ' SER . 3.3 t -76.28 -64.21 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.575 HG22 ' OG ' ' A' ' 43' ' ' SER . 45.8 p -79.17 -30.76 43.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 110.345 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.59 23.56 53.14 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.513 1.133 . . . . 0.0 111.063 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.483 HG22 ' N ' ' A' ' 23' ' ' GLU . 41.6 mt -82.73 165.56 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.453 0.737 . . . . 0.0 109.281 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.483 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -66.27 152.37 94.35 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.444 1.09 . . . . 0.0 110.209 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.475 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 18.2 Cg_endo -75.0 -54.51 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.494 1.786 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.26 -23.56 67.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.469 1.106 . . . . 0.0 109.928 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.447 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 17.6 tt0 -61.39 -44.23 97.51 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.559 1.162 . . . . 0.0 110.342 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.894 ' O ' HG23 ' A' ' 28' ' ' THR . 0.7 OUTLIER -59.66 143.91 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.894 HG23 ' O ' ' A' ' 27' ' ' ILE . 0.2 OUTLIER -170.21 168.82 4.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 110.392 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.413 ' HD2' ' HB ' ' A' ' 28' ' ' THR . 18.5 Cg_endo -74.99 49.01 2.14 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.55 1.816 . . . . 0.0 111.075 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -132.21 -29.41 1.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.33 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.901 ' NZ ' HD23 ' A' ' 37' ' ' LEU . 10.1 mmtt -49.58 167.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.369 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.557 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -129.31 23.33 5.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.028 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.817 ' CZ ' HD11 ' A' ' 64' ' ' LEU . 0.4 OUTLIER 78.97 -39.29 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.491 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.0 OUTLIER -140.06 -54.31 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.491 ' N ' HG12 ' A' ' 34' ' ' VAL . 6.2 t70 -37.87 -31.54 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -106.73 -66.0 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.901 HD23 ' NZ ' ' A' ' 31' ' ' LYS . 79.1 mt -41.99 -56.39 2.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.03 14.2 8.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.352 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.658 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -95.44 -16.51 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.264 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.601 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 7.7 t0 89.83 -172.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 109.348 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.5 p -90.47 3.45 53.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.005 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.56 -69.52 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.733 ' OG ' HG12 ' A' ' 19' ' ' VAL . 42.9 t -62.23 -53.88 48.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.945 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.792 ' HE1' ' CD2' ' A' ' 33' ' ' PHE . 4.3 mtm -42.64 -37.36 1.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.1 t -55.09 -40.0 52.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.57 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.4 OUTLIER -69.45 -53.88 17.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.255 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.547 HD11 HG23 ' A' ' 20' ' ' THR . 3.5 mt -41.27 -41.69 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.79 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -77.49 -47.72 18.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.57 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -47.8 -24.59 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 54' ' ' LYS . 34.1 mt-30 -91.78 -60.94 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.274 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.447 HG21 HD11 ' A' ' 12' ' ' ILE . 2.8 m -52.52 -34.83 51.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 110.391 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.79 ' OE1' ' HB1' ' A' ' 48' ' ' ALA . 8.3 mt-10 -78.88 -1.97 37.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.43 -62.0 1.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 50' ' ' GLN . 19.2 mtmt -43.63 -41.75 4.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.439 ' OH ' ' CG ' ' A' ' 7' ' ' GLU . 1.3 m-85 -103.13 -47.13 4.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.56 1.163 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 101.56 33.11 4.9 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.526 1.141 . . . . 0.0 111.035 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.745 HG22 ' HA ' ' A' ' 52' ' ' GLU . 21.7 m -72.11 148.89 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 0.78 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.437 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -102.33 117.44 34.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 109.326 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.697 HG22 HD23 ' A' ' 64' ' ' LEU . 36.1 mt -154.29 74.67 6.04 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 172.42 16.4 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.57 1.826 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.407 ' HA ' ' HB3' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -56.92 -39.31 74.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.35 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -43.21 -26.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.266 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.689 ' CB ' ' CE2' ' A' ' 76' ' ' TYR . 0.1 OUTLIER -115.52 -39.42 3.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.817 HD11 ' CZ ' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -52.12 -21.78 3.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.55 -30.78 67.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -91.97 -56.89 1.55 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.589 1.18 . . . . 0.0 110.956 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.005 HD13 ' HA ' ' A' ' 73' ' ' VAL . 10.4 mt -39.11 115.71 0.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 0.756 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.14 -52.8 2.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.907 ' O ' HG23 ' A' ' 73' ' ' VAL . 70.3 p -107.71 163.41 13.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.404 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.855 ' O ' HG23 ' A' ' 74' ' ' VAL . 16.1 t -53.29 -41.78 44.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.01 -36.09 66.23 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.563 1.164 . . . . 0.0 111.057 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.581 ' O ' HD22 ' A' ' 67' ' ' LEU . 4.5 t0 -85.85 -31.09 22.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.747 . . . . 0.0 109.301 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 1.005 ' HA ' HD13 ' A' ' 67' ' ' LEU . 16.4 t -79.18 -12.83 13.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 1.092 HG13 HD12 ' A' ' 8' ' ' ILE . 73.8 t -97.22 -49.09 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.918 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -44.11 -56.59 3.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.689 ' CE2' ' CB ' ' A' ' 63' ' ' ASP . 4.3 t80 -48.34 -27.06 2.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.78 HD12 HD13 ' A' ' 8' ' ' ILE . 4.9 mt -74.49 -73.16 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 81' ' ' GLU . 35.6 mt-30 -59.17 -52.57 65.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 110.344 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.593 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 6.3 mmmt -37.52 -36.88 0.18 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.438 1.086 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.43 -50.45 11.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 78' ' ' GLN . 0.9 OUTLIER -48.63 -43.15 36.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.298 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.503 ' O ' ' CG ' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -124.07 -104.2 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.253 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 82' ' ' GLU . 34.8 mt-10 -159.59 -72.94 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 110.313 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.1 t30 65.68 82.06 0.21 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 54.88 3.77 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.527 1.804 . . . . 0.0 110.964 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 87' ' ' ALA . 15.5 tt0 -141.16 -73.03 0.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.706 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . . . -179.78 -73.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.071 . . . . 0.0 109.37 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.918 ' HB2' ' HB2' ' A' ' 75' ' ' ALA . . . 176.65 -167.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.507 ' NE2' ' HB2' ' A' ' 5' ' ' GLN . 32.0 mt-30 -86.55 80.57 8.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.43 ' O ' ' HA ' ' A' ' 100' ' ' PRO . . . 179.06 -57.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.871 HD13 ' O ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -46.9 148.3 1.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.266 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.531 ' N ' HD22 ' A' ' 91' ' ' LEU . 0.6 OUTLIER -165.83 47.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -175.78 -68.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.551 1.157 . . . . 0.0 109.394 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.682 ' O ' HD23 ' A' ' 91' ' ' LEU . 2.3 mttp -97.46 165.57 11.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.603 ' O ' ' HB2' ' A' ' 87' ' ' ALA . 2.8 mp -75.33 -57.9 5.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.73 -78.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.93 122.59 0.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 109.934 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -114.5 -63.83 1.4 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.13 . . . . 0.0 110.31 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 170.57 135.31 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.43 ' HA ' ' O ' ' A' ' 90' ' ' ALA . 18.4 Cg_endo -75.04 -5.06 16.3 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.512 1.796 . . . . 0.0 111.043 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -164.9 123.62 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -150.05 39.9 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.697 HG13 ' N ' ' A' ' 104' ' ' ALA . 1.1 p -138.0 -158.47 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.697 ' N ' HG13 ' A' ' 103' ' ' VAL . . . 78.77 35.34 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 12.1 p30 176.96 161.24 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.793 HG13 ' N ' ' A' ' 107' ' ' GLN . 1.9 p -149.27 -149.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.793 ' N ' HG13 ' A' ' 106' ' ' VAL . 1.0 OUTLIER 65.61 144.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -103.35 16.69 25.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 42.57 60.93 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.284 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 68.2 tp -109.33 138.02 46.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.572 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 7.2 mm-40 -138.01 -148.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.572 ' HB2' ' O ' ' A' ' 111' ' ' GLU . . . 171.64 65.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.7 -30.82 41.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.355 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.9 m 52.61 -176.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 109.95 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.424 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 2.5 tp60 -62.45 -62.93 1.41 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 110.283 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.794 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -51.94 -18.2 1.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.337 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.403 ' O ' ' HA3' ' A' ' 11' ' ' GLY . 0.1 OUTLIER -76.27 -47.42 23.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.266 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 1.093 HD12 HG13 ' A' ' 74' ' ' VAL . 5.8 mt -88.72 -3.96 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.623 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.8 mt -105.36 -42.23 6.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.112 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.794 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -93.41 -38.99 11.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 7' ' ' GLU . . . -65.69 -41.56 95.81 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.554 HD11 HG21 ' A' ' 51' ' ' THR . 0.9 OUTLIER -77.89 -51.79 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.623 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -42.46 -46.96 4.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -59.14 -47.04 86.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.524 HG23 ' NE2' ' A' ' 50' ' ' GLN . 74.8 mt -62.4 -42.14 94.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.505 HD12 ' CG1' ' A' ' 27' ' ' ILE . 6.3 mt -55.36 -33.67 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.464 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 4.2 tm-20 -74.98 1.29 13.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.59 -43.97 4.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.802 HG12 ' OG ' ' A' ' 43' ' ' SER . 2.6 t -84.45 -65.56 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.25 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.71 HG23 HD11 ' A' ' 47' ' ' ILE . 41.7 p -76.83 -20.4 56.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 70.61 21.8 77.82 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.502 1.126 . . . . 0.0 111.047 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.5 HG22 ' N ' ' A' ' 23' ' ' GLU . 55.5 mt -81.01 165.35 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.5 ' N ' HG22 ' A' ' 22' ' ' ILE . 3.4 mt-10 -69.57 154.05 95.16 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.259 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.432 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 18.3 Cg_endo -75.01 -49.91 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.498 1.788 . . . . 0.0 110.951 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.68 -24.05 64.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.972 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.436 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 13.9 tt0 -63.7 -46.15 86.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.546 HD12 ' HZ3' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -61.76 132.32 27.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.409 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 0.6 OUTLIER -137.62 167.34 20.89 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 110.366 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.472 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 18.3 Cg_endo -75.01 1.86 7.28 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.781 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.08 2.18 53.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.546 ' HZ3' HD12 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -61.08 167.94 2.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.795 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -128.53 12.33 6.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.972 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.566 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.3 t80 79.91 -36.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.55 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -136.89 -56.59 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.55 ' N ' HG12 ' A' ' 34' ' ' VAL . 17.3 t0 -38.3 -31.34 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -105.69 -67.98 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.407 HD12 ' SD ' ' A' ' 44' ' ' MET . 47.3 mt -41.82 -55.3 3.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 68.7 12.05 8.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.607 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -91.76 -17.63 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.573 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 6.2 t70 88.0 -170.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.678 ' O ' HG23 ' A' ' 45' ' ' VAL . 14.0 p -87.51 -0.18 56.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.47 -67.86 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.802 ' OG ' HG12 ' A' ' 19' ' ' VAL . 6.6 t -65.52 -48.83 71.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.024 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.52 ' SD ' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -47.22 -35.48 7.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 111.003 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 41' ' ' SER . 2.0 t -60.88 -33.4 55.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.634 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -74.43 -54.14 8.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.334 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.71 HD11 HG23 ' A' ' 20' ' ' THR . 3.5 mt -43.51 -38.45 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.892 ' HB1' ' OE2' ' A' ' 52' ' ' GLU . . . -73.77 -48.38 32.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.634 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -48.61 -25.96 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.524 ' NE2' HG23 ' A' ' 15' ' ' ILE . 50.7 mt-30 -89.04 -59.78 2.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.125 . . . . 0.0 110.306 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.554 HG21 HD11 ' A' ' 12' ' ' ILE . 3.0 m -51.47 -38.98 56.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.415 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.892 ' OE2' ' HB1' ' A' ' 48' ' ' ALA . 1.5 mt-10 -74.82 -2.12 25.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.336 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.23 -60.76 1.82 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 50' ' ' GLN . 11.6 mttt -40.85 -42.33 1.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.451 ' CD1' ' CG1' ' A' ' 57' ' ' VAL . 44.8 t80 -106.86 -53.16 2.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 111.043 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.38 26.13 4.69 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.488 1.118 . . . . 0.0 110.974 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.534 HG22 ' HA ' ' A' ' 52' ' ' GLU . 9.7 m -64.5 158.03 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.78 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.42 104.08 15.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.747 ' O ' HG22 ' A' ' 59' ' ' ILE . 41.1 mt -148.53 65.93 8.8 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 169.67 22.11 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.428 1.751 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.23 -42.01 39.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -51.74 -20.77 2.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.282 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.604 ' CG ' ' CE2' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -113.64 -34.15 5.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.265 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.677 HD13 ' O ' ' A' ' 64' ' ' LEU . 0.7 OUTLIER -60.94 -15.37 30.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.13 -38.22 36.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -78.95 -46.98 7.96 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.908 ' HB3' HG22 ' A' ' 73' ' ' VAL . 19.0 mt -39.75 115.41 0.52 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 0.76 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.96 -40.18 5.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.324 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.894 ' O ' HG23 ' A' ' 73' ' ' VAL . 35.8 p -134.01 175.5 9.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.41 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.634 ' O ' HG23 ' A' ' 74' ' ' VAL . 5.7 t -57.33 -49.4 80.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -49.95 -37.03 28.34 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.125 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.566 ' C ' HD22 ' A' ' 67' ' ' LEU . 2.2 t70 -80.56 -35.56 34.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 0.788 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.908 HG22 ' HB3' ' A' ' 67' ' ' LEU . 48.2 t -72.18 -15.87 18.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 1.093 HG13 HD12 ' A' ' 8' ' ' ILE . 80.0 t -94.55 -55.72 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.59 ' HB1' ' HG3' ' A' ' 79' ' ' LYS . . . -46.0 -55.28 7.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.844 ' CG ' HD21 ' A' ' 67' ' ' LEU . 1.8 m-30 -42.3 -27.36 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.517 ' CG1' HD11 ' A' ' 59' ' ' ILE . 2.7 mt -85.29 -75.92 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -48.91 -54.31 15.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.59 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 23.3 mmtm . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.627 HG22 ' H ' ' A' ' 5' ' ' GLN . 32.8 m . . . . . 0 N--CA 1.454 -0.232 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.627 ' H ' HG22 ' A' ' 4' ' ' THR . 4.6 tp60 -48.96 -69.16 0.13 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.468 1.105 . . . . 0.0 110.364 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.733 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -50.39 -21.08 1.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.491 ' HB2' ' N ' ' A' ' 4' ' ' THR . 0.6 OUTLIER -74.29 -43.48 56.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 1.045 ' CD1' HG13 ' A' ' 74' ' ' VAL . 4.1 mt -92.9 -4.13 10.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.144 . . . . 0.0 109.344 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.605 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.8 mt -105.06 -41.59 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.733 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -92.76 -35.99 13.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 109.223 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.34 -42.74 73.37 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.474 1.109 . . . . 0.0 110.952 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.0 OUTLIER -76.17 -53.53 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 0.791 . . . . 0.0 109.24 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -40.46 -46.97 2.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -59.64 -43.64 93.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.326 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.473 ' N ' ' O ' ' A' ' 12' ' ' ILE . 32.4 mt -64.84 -44.55 96.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.436 1.085 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.561 HD12 HG12 ' A' ' 27' ' ' ILE . 26.1 mt -53.82 -32.33 21.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.517 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 0.3 OUTLIER -76.77 3.19 12.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.11 -45.25 3.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.266 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.768 HG12 ' OG ' ' A' ' 43' ' ' SER . 2.8 t -79.02 -62.69 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.409 1.068 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.471 HG22 ' OG ' ' A' ' 43' ' ' SER . 36.7 p -80.34 -30.99 38.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 110.423 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.1 24.53 51.88 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.452 1.095 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.517 ' O ' ' CB ' ' A' ' 17' ' ' GLU . 33.1 mt -85.5 166.15 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.492 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -68.84 148.22 97.94 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.419 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 18.2 Cg_endo -75.08 -50.0 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.468 1.773 . . . . 0.0 110.946 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.27 -24.64 67.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 110.02 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -62.57 -42.64 99.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 110.324 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.561 HG12 HD12 ' A' ' 16' ' ' ILE . 0.7 OUTLIER -61.37 130.97 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.245 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.452 ' C ' ' H ' ' A' ' 30' ' ' GLU . 0.9 OUTLIER -141.02 165.74 27.33 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.436 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.416 ' HB3' HD11 ' A' ' 9' ' ' ILE . 18.2 Cg_endo -75.05 40.35 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.452 ' H ' ' C ' ' A' ' 28' ' ' THR . 1.7 mm-40 -138.56 8.93 2.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.082 . . . . 0.0 110.314 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.413 ' NZ ' ' HB3' ' A' ' 36' ' ' ASP . 1.4 mmtt -69.6 167.92 15.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.788 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -129.09 12.31 6.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.035 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.635 ' HZ ' HD11 ' A' ' 64' ' ' LEU . 1.4 t80 79.62 -36.26 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 111.064 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.555 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -136.51 -56.86 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.555 ' N ' HG12 ' A' ' 34' ' ' VAL . 3.3 t70 -39.09 -30.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER -105.41 -67.31 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.413 1.071 . . . . 0.0 109.312 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.524 HD12 ' O ' ' A' ' 33' ' ' PHE . 78.5 mt -42.44 -54.86 3.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 t70 68.92 11.46 8.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.279 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.707 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -93.62 -13.73 8.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.577 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 12.5 t0 88.38 -171.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.9 p -90.8 -1.44 57.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.561 1.163 . . . . 0.0 109.976 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.95 -68.06 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.768 ' OG ' HG12 ' A' ' 19' ' ' VAL . 9.8 t -63.62 -47.22 82.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.992 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.458 ' SD ' ' CE2' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -48.39 -33.64 9.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -61.84 -33.94 60.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.441 1.088 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.573 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -73.5 -54.27 8.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 110.326 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.492 HG13 ' CG2' ' A' ' 19' ' ' VAL . 3.2 mt -40.41 -46.08 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.698 ' HB1' ' OE2' ' A' ' 52' ' ' GLU . . . -71.41 -46.11 61.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.573 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -48.51 -27.38 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.559 1.162 . . . . 0.0 109.247 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.449 ' HB2' HD13 ' A' ' 15' ' ' ILE . 57.7 mt-30 -87.7 -60.35 1.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.272 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.552 HG22 HG21 ' A' ' 57' ' ' VAL . 1.1 m -51.66 -38.89 56.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.354 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.795 ' HA ' HG22 ' A' ' 57' ' ' VAL . 20.1 mt-10 -73.84 -2.97 25.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.102 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.32 -63.76 1.4 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' GLN . 23.3 mttt -44.0 -40.85 5.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.527 ' HB3' HG13 ' A' ' 57' ' ' VAL . 0.9 OUTLIER -104.18 -43.47 5.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 110.977 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 102.95 7.12 44.84 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.523 1.139 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.795 HG22 ' HA ' ' A' ' 52' ' ' GLU . 15.3 m -43.62 149.74 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.784 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.28 97.22 9.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.152 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.775 HD11 HG12 ' A' ' 77' ' ' ILE . 45.8 mt -146.78 74.62 12.25 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 169.83 21.75 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.494 1.787 . . . . 0.0 111.038 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.25 -40.51 77.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -53.37 -19.18 3.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.613 ' OD1' ' CE2' ' A' ' 76' ' ' TYR . 0.3 OUTLIER -112.39 -34.79 5.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.231 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.635 HD11 ' HZ ' ' A' ' 33' ' ' PHE . 0.8 OUTLIER -60.42 -15.48 26.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.67 -36.89 59.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.25 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -78.7 -47.31 7.96 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.904 ' HB3' HG22 ' A' ' 73' ' ' VAL . 26.8 mt -39.45 119.6 0.96 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 0.788 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.74 -37.92 4.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.258 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.788 HG22 ' HA ' ' A' ' 32' ' ' SER . 42.8 p -135.67 168.99 18.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 110.374 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.539 ' O ' HG23 ' A' ' 74' ' ' VAL . 12.4 t -52.26 -53.7 17.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -44.34 -37.71 4.81 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.48 1.112 . . . . 0.0 110.972 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.561 ' C ' HD22 ' A' ' 67' ' ' LEU . 8.4 t0 -80.64 -38.45 29.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 0.784 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.904 HG22 ' HB3' ' A' ' 67' ' ' LEU . 35.2 t -70.06 -15.55 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.251 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 1.045 HG13 ' CD1' ' A' ' 8' ' ' ILE . 96.7 t -97.27 -55.11 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.582 1.176 . . . . 0.0 109.236 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.52 ' HB1' ' HG3' ' A' ' 79' ' ' LYS . . . -48.92 -54.8 13.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.244 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.902 ' CD2' HD21 ' A' ' 67' ' ' LEU . 1.8 m-30 -43.4 -28.39 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.775 HG12 HD11 ' A' ' 59' ' ' ILE . 1.8 mt -80.4 -76.24 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.354 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -49.69 -53.33 25.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 110.236 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.52 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 0.8 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.637 HG23 ' N ' ' A' ' 5' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.44 -0.207 . . . . 0.0 110.44 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.637 ' N ' HG23 ' A' ' 4' ' ' THR . 5.0 tp60 -48.14 -69.96 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.7 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -48.44 -21.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.36 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.449 ' HB2' ' N ' ' A' ' 4' ' ' THR . 1.0 OUTLIER -74.57 -46.94 35.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 110.291 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 1.073 ' CD1' HG13 ' A' ' 74' ' ' VAL . 6.0 mt -88.14 -3.54 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.545 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.9 mt -105.15 -42.01 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.7 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -92.74 -36.04 13.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.34 -42.99 72.46 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.415 ' HB ' ' O ' ' A' ' 8' ' ' ILE . 0.8 OUTLIER -75.22 -53.38 16.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 109.343 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.545 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -42.53 -45.96 4.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -58.9 -44.86 91.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.579 1.174 . . . . 0.0 110.282 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 12' ' ' ILE . 14.4 mt -66.06 -42.58 91.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.474 HG23 ' OG1' ' A' ' 20' ' ' THR . 5.6 mt -53.58 -34.36 23.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.426 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 0.7 OUTLIER -73.12 -0.03 12.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.16 . . . . 0.0 110.28 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -105.35 -45.01 4.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.424 1.077 . . . . 0.0 110.41 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.778 HG12 ' OG ' ' A' ' 43' ' ' SER . 2.8 t -83.42 -67.62 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.6 1.188 . . . . 0.0 109.354 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.488 HG23 HD11 ' A' ' 47' ' ' ILE . 70.3 p -74.4 -22.82 58.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.59 1.181 . . . . 0.0 110.414 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.61 23.47 77.85 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.557 1.16 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.469 HG22 ' N ' ' A' ' 23' ' ' GLU . 48.8 mt -83.01 163.56 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.462 0.742 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.469 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -67.95 154.32 93.9 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.355 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -49.35 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.485 1.781 . . . . 0.0 111.049 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.47 -23.47 64.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 109.946 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.457 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 26.2 tt0 -61.35 -42.41 98.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.251 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.482 ' N ' ' CD1' ' A' ' 27' ' ' ILE . 0.6 OUTLIER -64.85 137.62 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.422 ' C ' ' H ' ' A' ' 30' ' ' GLU . 1.5 p -147.93 164.46 22.23 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.408 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.471 ' HB3' HD11 ' A' ' 9' ' ' ILE . 18.7 Cg_endo -74.93 43.05 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.537 1.809 . . . . 0.0 111.038 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.422 ' H ' ' C ' ' A' ' 28' ' ' THR . 4.1 pt-20 -140.31 8.74 2.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.428 ' HB2' HG23 ' A' ' 70' ' ' VAL . 0.9 OUTLIER -68.75 164.63 21.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.591 1.182 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.83 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -127.02 12.31 7.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.384 1.053 . . . . 0.0 109.981 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.556 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.1 t80 79.36 -31.5 0.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 110.965 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.56 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -140.15 -57.73 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.56 ' N ' HG12 ' A' ' 34' ' ' VAL . 13.6 t0 -38.78 -31.02 0.05 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -107.16 -66.78 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.462 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 71.6 mt -43.52 -53.89 5.24 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER 65.72 16.35 10.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.699 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -99.7 -14.52 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.564 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 2.3 t70 87.14 -170.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.8 p -90.08 4.75 49.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 110.037 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.51 -69.83 0.34 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.778 ' OG ' HG12 ' A' ' 19' ' ' VAL . 21.8 t -62.7 -48.06 80.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.965 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.462 ' SD ' ' CD1' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -48.27 -31.9 6.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 111.021 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.2 t -64.13 -31.93 55.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.355 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.495 ' CB ' HG11 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -75.77 -54.47 6.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.309 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.501 HG13 ' CG2' ' A' ' 19' ' ' VAL . 3.5 mt -41.68 -40.76 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.496 1.122 . . . . 0.0 109.239 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.99 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -75.53 -49.7 17.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.44 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -47.51 -26.6 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 54' ' ' LYS . 52.1 mt-30 -87.8 -59.72 2.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -51.27 -39.75 57.43 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.99 ' OE1' ' HB1' ' A' ' 48' ' ' ALA . 4.9 mt-10 -74.35 -0.46 17.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.369 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.7 -64.69 1.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.258 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 50' ' ' GLN . 7.7 mtpp -44.65 -41.39 6.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.41 ' OH ' ' CD ' ' A' ' 7' ' ' GLU . 1.2 m-85 -104.4 -45.99 4.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 98.08 34.18 5.49 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.527 HG22 ' HA ' ' A' ' 52' ' ' GLU . 5.4 m -70.91 157.95 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.606 0.827 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.61 98.75 10.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.841 HD11 ' CD1' ' A' ' 77' ' ' ILE . 28.5 mt -150.76 69.13 8.5 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 169.47 22.54 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.527 1.804 . . . . 0.0 111.021 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.07 -40.32 67.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -50.82 -21.66 1.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.506 ' OD1' ' CE2' ' A' ' 76' ' ' TYR . 0.6 OUTLIER -114.38 -34.86 5.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.57 HD13 ' O ' ' A' ' 64' ' ' LEU . 0.9 OUTLIER -58.69 -16.99 18.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.362 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.33 -42.28 37.31 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.71 -43.08 37.02 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.937 HD13 HG13 ' A' ' 73' ' ' VAL . 19.3 mt -39.57 117.03 0.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 0.766 . . . . 0.0 109.298 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.33 -40.05 4.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.301 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.83 HG22 ' HA ' ' A' ' 32' ' ' SER . 43.1 p -136.57 168.71 18.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 110.454 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.821 ' O ' HG23 ' A' ' 74' ' ' VAL . 11.5 t -51.27 -47.91 33.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -50.48 -37.88 33.76 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.539 1.15 . . . . 0.0 111.004 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.456 ' C ' HD22 ' A' ' 67' ' ' LEU . 4.4 t0 -80.05 -35.68 36.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.756 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.937 HG13 HD13 ' A' ' 67' ' ' LEU . 21.0 t -73.52 -15.2 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.362 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 1.073 HG13 ' CD1' ' A' ' 8' ' ' ILE . 95.9 t -96.41 -58.14 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.652 ' HB1' ' HG3' ' A' ' 79' ' ' LYS . . . -46.0 -56.1 5.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.837 ' CD2' HD21 ' A' ' 67' ' ' LEU . 1.6 m-30 -42.42 -27.8 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.841 ' CD1' HD11 ' A' ' 59' ' ' ILE . 4.4 mt -82.83 -76.48 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -49.57 -53.86 21.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.257 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.652 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 2.3 mmmp? . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.544 HG23 ' N ' ' A' ' 5' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.454 -0.202 . . . . 0.0 110.454 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.544 ' N ' HG23 ' A' ' 4' ' ' THR . 5.5 tp60 -49.76 -70.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.345 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.731 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -49.37 -20.96 0.76 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.083 . . . . 0.0 110.321 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.7 -42.78 57.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.261 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 1.037 HD12 HG13 ' A' ' 74' ' ' VAL . 6.0 mt -93.52 -4.3 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.558 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.9 mt -105.05 -40.73 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.731 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -93.89 -34.35 13.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.95 -40.61 62.74 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.462 1.102 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.463 HD11 HG21 ' A' ' 51' ' ' THR . 1.1 mt -78.67 -53.38 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.451 0.736 . . . . 0.0 109.242 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -42.4 -47.51 4.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -58.67 -47.03 85.88 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.57 1.169 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.586 HG23 ' NE2' ' A' ' 50' ' ' GLN . 30.2 mt -62.96 -41.99 94.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.174 . . . . 0.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.43 ' CG2' ' OG1' ' A' ' 20' ' ' THR . 5.6 mt -53.78 -34.23 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -73.51 0.55 12.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.254 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -106.21 -43.71 4.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.226 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.773 HG12 ' OG ' ' A' ' 43' ' ' SER . 2.6 t -84.39 -66.55 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.67 HG23 HD11 ' A' ' 47' ' ' ILE . 65.8 p -75.39 -26.96 58.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.365 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.09 20.99 74.8 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.516 HG22 ' N ' ' A' ' 23' ' ' GLU . 49.1 mt -80.88 166.95 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.557 0.798 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.516 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -70.6 151.34 95.47 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.254 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -50.1 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.484 1.781 . . . . 0.0 110.961 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.01 -25.48 67.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 110.042 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.416 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 18.2 tt0 -62.22 -43.98 97.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.333 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.448 HD13 ' O ' ' A' ' 23' ' ' GLU . 0.6 OUTLIER -62.24 138.6 22.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.361 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.426 ' C ' ' H ' ' A' ' 30' ' ' GLU . 0.8 OUTLIER -151.15 166.18 15.69 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.394 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.475 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 18.1 Cg_endo -75.06 42.48 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 0.0 110.944 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.426 ' H ' ' C ' ' A' ' 28' ' ' THR . 3.2 mm-40 -137.56 6.59 2.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.349 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.47 ' O ' HG22 ' A' ' 69' ' ' THR . 0.8 OUTLIER -67.42 164.43 18.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.103 . . . . 0.0 109.326 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.693 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -126.03 14.16 7.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.573 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.5 t80 80.39 -37.46 0.15 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.545 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -137.55 -56.11 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.545 ' N ' HG12 ' A' ' 34' ' ' VAL . 11.2 t0 -38.13 -31.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -106.17 -67.63 0.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.414 HD12 ' O ' ' A' ' 33' ' ' PHE . 91.0 mt -42.93 -53.68 4.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.9 OUTLIER 65.24 15.51 10.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.649 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -96.73 -15.78 7.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.569 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 3.4 t70 88.18 -170.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.5 p -90.1 1.01 56.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.028 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.02 -70.25 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.773 ' OG ' HG12 ' A' ' 19' ' ' VAL . 14.6 t -63.0 -46.36 88.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.018 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.33 -32.15 10.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.2 t -63.13 -34.1 64.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.522 ' CB ' HG11 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -73.51 -54.95 7.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.093 . . . . 0.0 110.286 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.67 HD11 HG23 ' A' ' 20' ' ' THR . 3.9 mt -43.93 -37.59 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.26 -47.19 18.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -47.61 -28.02 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.586 ' NE2' HG23 ' A' ' 15' ' ' ILE . 41.1 mt-30 -88.09 -59.61 2.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.411 1.069 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.463 HG21 HD11 ' A' ' 12' ' ' ILE . 2.3 m -51.85 -37.77 53.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.403 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.527 ' HA ' HG22 ' A' ' 57' ' ' VAL . 24.1 mt-10 -75.31 -2.69 29.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.632 1.208 . . . . 0.0 110.347 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.48 -62.55 1.57 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' GLN . 6.5 mtpp -42.7 -40.78 2.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 0.0 109.323 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.576 ' HB3' HG13 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -103.68 -38.84 6.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.42 31.26 9.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.576 HG13 ' HB3' ' A' ' 55' ' ' TYR . 30.8 m -75.34 152.46 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 0.771 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.5 108.83 21.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.641 HG22 HD23 ' A' ' 64' ' ' LEU . 4.5 mt -144.3 63.87 11.67 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 59' ' ' ILE . 18.4 Cg_endo -75.0 173.22 14.89 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.49 1.784 . . . . 0.0 111.04 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.421 ' C ' ' N ' ' A' ' 63' ' ' ASP . 0.4 OUTLIER -52.43 -39.59 61.19 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -41.97 -27.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.295 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.702 ' CB ' ' CE2' ' A' ' 76' ' ' TYR . 0.2 OUTLIER -120.57 -45.41 2.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.259 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.641 HD23 HG22 ' A' ' 59' ' ' ILE . 0.8 OUTLIER -46.1 -26.07 0.69 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.276 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.41 -43.64 63.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . -74.77 -47.09 15.53 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.562 1.164 . . . . 0.0 110.964 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.955 ' HB3' HG22 ' A' ' 73' ' ' VAL . 27.2 mt -39.29 128.21 1.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.97 -48.01 2.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 110.23 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.813 ' O ' HG23 ' A' ' 73' ' ' VAL . 73.5 p -125.63 168.88 13.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.409 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.825 ' O ' HG23 ' A' ' 74' ' ' VAL . 14.4 t -51.22 -44.09 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -54.88 -33.58 56.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.803 ' O ' HD22 ' A' ' 67' ' ' LEU . 7.3 t0 -85.31 -28.73 25.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.267 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.955 HG22 ' HB3' ' A' ' 67' ' ' LEU . 14.2 t -82.87 -13.5 12.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.422 1.077 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 1.037 HG13 HD12 ' A' ' 8' ' ' ILE . 90.0 t -97.33 -51.54 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.539 ' HB1' ' HG3' ' A' ' 79' ' ' LYS . . . -44.03 -58.13 2.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.702 ' CE2' ' CB ' ' A' ' 63' ' ' ASP . 7.8 t80 -46.33 -25.04 0.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 111.028 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.681 HD12 HD13 ' A' ' 8' ' ' ILE . 4.8 mt -80.05 -75.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 79' ' ' LYS . 40.2 mt-30 -54.35 -52.32 61.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.539 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 10.4 mmmt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.196 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.426 -0.213 . . . . 0.0 110.426 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.427 ' O ' ' N ' ' A' ' 9' ' ' ILE . 5.8 tp60 -43.11 -73.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.72 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -48.89 -21.91 0.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.334 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 5' ' ' GLN . 1.6 mm-40 -74.96 -42.2 58.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.52 1.137 . . . . 0.0 110.266 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 1.072 ' CD1' HG13 ' A' ' 74' ' ' VAL . 4.1 mt -93.7 -3.77 10.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 109.339 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.532 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.5 mt -105.94 -40.94 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -93.39 -35.05 13.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.248 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.72 -40.17 65.69 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.47 1.106 . . . . 0.0 110.985 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -78.14 -53.21 14.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.436 0.727 . . . . 0.0 109.36 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.532 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -42.65 -48.29 5.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.55 -45.95 84.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.272 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.418 HG23 ' NE2' ' A' ' 50' ' ' GLN . 53.3 mt -64.16 -43.56 97.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.39 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.44 HG22 ' HB ' ' A' ' 22' ' ' ILE . 4.8 mt -53.31 -34.87 23.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.409 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 0.8 OUTLIER -73.38 0.33 12.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.597 1.186 . . . . 0.0 110.297 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -106.31 -45.74 4.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.888 HG12 ' OG ' ' A' ' 43' ' ' SER . 2.8 t -82.76 -67.6 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.83 HG23 HD11 ' A' ' 47' ' ' ILE . 36.6 p -73.21 -28.13 62.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 110.395 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.49 22.61 66.95 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.494 HG22 ' N ' ' A' ' 23' ' ' GLU . 44.2 mt -82.7 165.63 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.247 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.494 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -69.55 151.79 96.52 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -49.29 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.428 1.752 . . . . 0.0 110.966 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.13 -23.97 65.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.995 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.424 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 17.3 tt0 -62.5 -43.83 97.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.231 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.45 ' N ' ' CD1' ' A' ' 27' ' ' ILE . 0.7 OUTLIER -62.99 132.58 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.43 ' C ' ' H ' ' A' ' 30' ' ' GLU . 0.8 OUTLIER -147.25 166.23 16.73 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.431 1.082 . . . . 0.0 110.406 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.411 ' HD2' ' HB ' ' A' ' 28' ' ' THR . 18.2 Cg_endo -75.01 42.22 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.536 1.809 . . . . 0.0 111.036 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.43 ' H ' ' C ' ' A' ' 28' ' ' THR . 1.7 mt-10 -137.56 6.66 2.75 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.495 1.122 . . . . 0.0 110.258 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.53 ' O ' HG22 ' A' ' 69' ' ' THR . 0.8 OUTLIER -70.64 164.62 24.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.627 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -124.16 13.99 9.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.99 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.578 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.3 t80 80.72 -37.1 0.13 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.544 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -137.74 -56.09 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.544 ' N ' HG12 ' A' ' 34' ' ' VAL . 3.3 t70 -37.64 -32.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -105.75 -67.56 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.443 HD12 ' O ' ' A' ' 33' ' ' PHE . 70.6 mt -41.32 -53.71 3.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 65.35 14.64 9.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.635 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -95.75 -20.78 5.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.588 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 6.9 t0 89.27 -170.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.8 p -88.48 3.19 51.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 110.083 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.73 -70.77 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.419 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.888 ' OG ' HG12 ' A' ' 19' ' ' VAL . 1.7 t -64.95 -45.8 84.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.55 1.156 . . . . 0.0 110.036 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.418 ' SD ' ' CE1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -50.19 -34.5 22.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.953 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -59.34 -37.01 67.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.47 ' CB ' HG11 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -72.44 -54.19 10.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.145 . . . . 0.0 110.319 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.83 HD11 HG23 ' A' ' 20' ' ' THR . 3.2 mt -44.03 -34.98 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.701 ' HB1' ' OE2' ' A' ' 52' ' ' GLU . . . -81.92 -46.67 13.73 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.44 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -50.31 -24.34 2.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 109.289 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 54' ' ' LYS . 40.3 mt-30 -91.14 -59.99 2.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.4 m -51.93 -37.77 53.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.421 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.816 ' HA ' HG22 ' A' ' 57' ' ' VAL . 14.4 mt-10 -76.25 -2.38 31.11 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.441 1.088 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.53 -62.0 1.66 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' GLN . 1.8 mtpp -41.69 -42.02 2.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.417 1.073 . . . . 0.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -104.89 -50.3 3.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 111.039 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 110.06 18.67 8.6 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.453 1.096 . . . . 0.0 111.03 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.816 HG22 ' HA ' ' A' ' 52' ' ' GLU . 12.9 m -54.06 149.07 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 0.748 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.81 102.74 13.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.602 HD11 ' CG1' ' A' ' 77' ' ' ILE . 49.8 mt -143.81 73.3 16.87 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.05 170.85 19.5 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.464 1.771 . . . . 0.0 110.945 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.411 ' C ' ' N ' ' A' ' 63' ' ' ASP . 0.2 OUTLIER -56.45 -40.15 74.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.69 -24.46 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.68 ' CB ' ' CE2' ' A' ' 76' ' ' TYR . 0.2 OUTLIER -115.7 -39.81 3.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.27 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.518 HD23 HG22 ' A' ' 59' ' ' ILE . 0.7 OUTLIER -53.35 -20.91 4.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.82 -41.76 59.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -76.29 -45.96 13.67 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.43 1.081 . . . . 0.0 110.963 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.869 ' HB3' HG22 ' A' ' 73' ' ' VAL . 19.3 mt -39.57 118.51 0.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 0.751 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.69 -38.97 5.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.841 ' O ' HG23 ' A' ' 73' ' ' VAL . 45.4 p -131.63 169.84 15.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 110.421 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.512 HG12 ' CG2' ' A' ' 74' ' ' VAL . 7.7 t -56.44 -51.16 68.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.262 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -44.55 -32.76 2.97 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.52 1.137 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.463 ' C ' HD22 ' A' ' 67' ' ' LEU . 4.8 t0 -86.52 -34.65 19.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.869 HG22 ' HB3' ' A' ' 67' ' ' LEU . 16.7 t -76.8 -11.29 13.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.385 1.053 . . . . 0.0 109.382 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 1.072 HG13 ' CD1' ' A' ' 8' ' ' ILE . 74.8 t -100.61 -57.64 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.793 ' HB1' ' CD ' ' A' ' 79' ' ' LYS . . . -45.27 -54.61 6.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 109.36 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.68 ' CE2' ' CB ' ' A' ' 63' ' ' ASP . 2.2 t80 -47.83 -24.1 0.91 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.786 HD12 HD13 ' A' ' 8' ' ' ILE . 12.2 mt -84.11 -68.16 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -59.11 -60.18 4.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.793 ' CD ' ' HB1' ' A' ' 75' ' ' ALA . 1.7 mtpt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.0 t . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -58.61 -64.12 1.04 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.571 1.169 . . . . 0.0 110.32 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.783 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -51.99 -18.47 1.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.073 . . . . 0.0 110.333 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.42 -44.1 46.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.887 HG21 HG22 ' A' ' 74' ' ' VAL . 5.8 mt -92.92 -4.23 10.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.551 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.7 mt -105.37 -41.67 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.597 1.186 . . . . 0.0 109.23 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.783 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -92.96 -34.78 13.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.565 1.166 . . . . 0.0 109.36 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.37 -39.54 70.12 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.546 1.154 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.1 mt -79.66 -53.48 13.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 0.764 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.551 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -42.46 -47.0 4.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -59.64 -46.02 90.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.354 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.459 HG22 ' CG1' ' A' ' 47' ' ' ILE . 26.5 mt -63.45 -40.49 89.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.53 ' HA ' HD11 ' A' ' 47' ' ' ILE . 5.0 mt -57.16 -34.7 46.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.499 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 1.3 tm-20 -75.09 -0.3 18.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.259 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -104.58 -45.22 4.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 110.271 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.867 HG12 ' OG ' ' A' ' 43' ' ' SER . 2.5 t -83.51 -68.18 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.827 HG22 ' HB3' ' A' ' 43' ' ' SER . 19.8 p -72.01 -27.36 62.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.557 1.16 . . . . 0.0 110.418 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.57 21.63 68.9 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.549 1.156 . . . . 0.0 111.062 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.53 HG22 ' N ' ' A' ' 23' ' ' GLU . 44.2 mt -81.53 167.2 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.53 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -71.6 151.58 93.69 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.286 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.403 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 18.3 Cg_endo -75.02 -49.33 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.487 1.782 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.52 -23.5 65.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.971 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.447 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 19.8 tt0 -62.76 -43.45 98.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.339 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.589 ' O ' HG23 ' A' ' 28' ' ' THR . 0.7 OUTLIER -62.7 142.21 16.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.26 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.589 HG23 ' O ' ' A' ' 27' ' ' ILE . 0.8 OUTLIER -156.88 166.39 16.73 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 0.0 110.389 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 43.07 0.92 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.473 1.775 . . . . 0.0 111.027 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.419 ' H ' ' C ' ' A' ' 28' ' ' THR . 2.6 mm-40 -137.11 6.19 2.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.224 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.659 ' O ' HG22 ' A' ' 69' ' ' THR . 0.4 OUTLIER -67.81 167.68 12.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.566 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -132.93 20.28 4.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.995 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.675 ' CZ ' HD11 ' A' ' 64' ' ' LEU . 0.5 OUTLIER 80.09 -40.12 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.905 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.49 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.0 OUTLIER -138.23 -54.61 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.49 ' N ' HG12 ' A' ' 34' ' ' VAL . 4.9 t70 -37.96 -31.7 0.05 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER -106.67 -67.63 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.441 HD12 ' SD ' ' A' ' 44' ' ' MET . 81.9 mt -44.04 -52.52 7.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.5 OUTLIER 63.45 14.37 7.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.386 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.596 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.2 OUTLIER -93.99 -20.93 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.596 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 7.9 t0 89.58 -172.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.723 ' O ' HG23 ' A' ' 45' ' ' VAL . 83.1 p -87.8 2.83 50.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.994 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.28 -71.7 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.867 ' OG ' HG12 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -66.46 -40.42 89.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.993 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.619 ' HE1' ' CD2' ' A' ' 33' ' ' PHE . 6.3 mtm -53.13 -34.99 59.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.59 1.181 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 41' ' ' SER . 2.0 t -59.64 -38.17 74.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.586 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -69.87 -54.89 11.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 110.292 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.808 HD11 HG23 ' A' ' 20' ' ' THR . 2.4 mt -47.04 -31.01 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.975 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -84.9 -48.1 9.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.586 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -49.27 -24.24 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 54' ' ' LYS . 44.9 mt-30 -90.1 -60.41 1.94 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.343 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -51.61 -39.19 57.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.412 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.975 ' OE1' ' HB1' ' A' ' 48' ' ' ALA . 4.8 mt-10 -74.45 -2.31 24.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.599 1.187 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 54' ' ' LYS . 0.5 OUTLIER -116.15 -61.19 1.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 50' ' ' GLN . 13.0 mttt -40.11 -41.4 1.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.404 ' HB3' HG13 ' A' ' 57' ' ' VAL . 32.2 t80 -106.67 -47.9 3.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 106.38 26.93 5.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.845 HG22 ' HA ' ' A' ' 52' ' ' GLU . 18.7 m -63.01 149.95 9.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.479 0.753 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.34 113.82 27.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.458 HG23 HD12 ' A' ' 67' ' ' LEU . 27.2 mt -151.2 73.65 8.4 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 170.6 20.06 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.518 1.799 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.78 -40.74 80.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.226 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -50.09 -22.06 1.51 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 110.352 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.562 ' CG ' ' CZ ' ' A' ' 76' ' ' TYR . 0.1 OUTLIER -113.39 -34.07 5.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.675 HD11 ' CZ ' ' A' ' 33' ' ' PHE . 0.8 OUTLIER -58.85 -16.44 17.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.48 -26.44 60.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.253 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.08 -58.7 1.14 Allowed Glycine 0 CA--C 1.528 0.892 0 O-C-N 124.488 1.118 . . . . 0.0 110.973 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.968 HD13 ' HA ' ' A' ' 73' ' ' VAL . 11.0 mt -45.3 118.48 1.73 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.375 0.691 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.72 -56.55 2.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 110.3 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.903 ' O ' HG23 ' A' ' 73' ' ' VAL . 78.3 p -97.56 174.01 6.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.354 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.583 ' O ' HG23 ' A' ' 74' ' ' VAL . 2.5 t -64.33 -36.95 78.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.72 -20.83 68.63 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.84 ' O ' HD22 ' A' ' 67' ' ' LEU . 8.0 t0 -98.78 -30.46 12.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.782 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.968 ' HA ' HD13 ' A' ' 67' ' ' LEU . 34.3 t -84.59 -12.89 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.887 HG22 HG21 ' A' ' 8' ' ' ILE . 45.8 t -98.44 -47.15 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.692 ' HB1' ' HG3' ' A' ' 79' ' ' LYS . . . -44.56 -56.91 3.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 109.273 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.562 ' CZ ' ' CG ' ' A' ' 63' ' ' ASP . 5.6 t80 -49.18 -20.9 0.66 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.418 1.074 . . . . 0.0 110.989 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.514 HD12 HD13 ' A' ' 8' ' ' ILE . 3.2 mt -83.02 -67.22 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 79' ' ' LYS . 52.2 mt-30 -65.99 -51.98 53.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.692 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 18.1 mmtm . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.471 ' N ' ' HB2' ' A' ' 7' ' ' GLU . 5.5 t . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.473 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 4.5 tp60 -50.79 -68.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.268 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.754 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -49.6 -20.62 0.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.287 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.471 ' HB2' ' N ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -74.77 -45.88 40.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.276 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 1.039 HD12 HG13 ' A' ' 74' ' ' VAL . 5.0 mt -90.71 -2.91 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.575 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.8 mt -106.32 -42.04 6.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.754 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -92.94 -36.86 12.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.69 -42.91 78.21 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -75.6 -53.33 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.575 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -42.24 -47.05 4.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.28 -47.35 81.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.345 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.553 HG23 ' NE2' ' A' ' 50' ' ' GLN . 49.2 mt -64.57 -43.85 96.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 109.242 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.467 ' CG2' ' OG1' ' A' ' 20' ' ' THR . 7.6 mt -53.02 -36.39 24.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.498 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 4.6 tm-20 -72.01 -0.23 11.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -105.85 -45.79 4.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.358 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.829 HG12 ' OG ' ' A' ' 43' ' ' SER . 2.5 t -83.18 -68.59 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.77 HG23 HD11 ' A' ' 47' ' ' ILE . 68.4 p -70.44 -27.95 64.66 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.553 1.158 . . . . 0.0 110.368 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.92 32.82 52.31 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.471 1.107 . . . . 0.0 111.042 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.517 HG22 ' N ' ' A' ' 23' ' ' GLU . 42.1 mt -93.95 166.95 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.513 0.772 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.517 ' N ' HG22 ' A' ' 22' ' ' ILE . 1.7 mt-10 -69.42 153.08 96.15 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -50.06 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.382 1.727 . . . . 0.0 110.963 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.54 -22.27 63.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.985 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.427 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 59.7 tt0 -65.29 -49.58 68.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 110.234 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.447 HD13 ' O ' ' A' ' 23' ' ' GLU . 0.8 OUTLIER -55.38 120.34 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.401 ' O ' HG21 ' A' ' 70' ' ' VAL . 1.3 p -126.55 164.37 34.86 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.46 1.1 . . . . 0.0 110.408 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.459 ' HB3' HD11 ' A' ' 9' ' ' ILE . 18.1 Cg_endo -75.06 0.27 9.14 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.469 1.773 . . . . 0.0 110.959 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.57 3.33 52.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.99 169.82 3.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.781 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -126.42 9.29 7.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.967 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.559 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.0 OUTLIER 79.7 -36.04 0.15 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.556 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -135.94 -57.04 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.556 ' N ' HG12 ' A' ' 34' ' ' VAL . 4.3 t0 -39.63 -30.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.354 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.438 ' N ' ' C ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER -105.43 -68.15 0.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.697 HD13 ' CE ' ' A' ' 44' ' ' MET . 97.7 mt -44.52 -56.33 4.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.8 OUTLIER 70.08 15.07 7.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.787 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -94.59 -18.57 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.333 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.579 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 3.3 t70 88.96 -170.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.524 1.14 . . . . 0.0 109.238 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.702 ' O ' HG23 ' A' ' 45' ' ' VAL . 73.4 m -89.53 3.87 51.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.998 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.54 -65.89 0.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.172 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.829 ' OG ' HG12 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -63.38 -50.75 68.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.769 ' HE1' HG21 ' A' ' 20' ' ' THR . 0.3 OUTLIER -42.53 -42.89 3.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 41' ' ' SER . 2.6 t -52.88 -38.13 27.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.613 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -72.81 -53.05 12.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.77 HD11 HG23 ' A' ' 20' ' ' THR . 2.7 mt -45.92 -32.88 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.402 ' C ' ' N ' ' A' ' 50' ' ' GLN . . . -79.22 -51.36 9.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.613 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -46.98 -25.84 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.076 . . . . 0.0 109.27 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.553 ' NE2' HG23 ' A' ' 15' ' ' ILE . 40.8 mt-30 -90.02 -59.65 2.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.557 1.161 . . . . 0.0 110.239 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.9 m -52.05 -37.02 52.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.421 1.076 . . . . 0.0 110.421 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.563 ' HA ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -77.29 0.85 20.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.348 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.45 -63.12 1.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 50' ' ' GLN . 7.4 mttp -49.07 -41.08 34.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.442 ' OH ' ' CG ' ' A' ' 7' ' ' GLU . 0.6 OUTLIER -105.08 -44.02 4.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.932 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.5 26.57 10.73 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.525 1.14 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.563 HG22 ' HA ' ' A' ' 52' ' ' GLU . 7.8 m -55.9 -172.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.467 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 0.5 OUTLIER -135.48 107.74 7.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.777 HD11 HD11 ' A' ' 77' ' ' ILE . 24.0 mt -154.79 83.9 3.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 169.23 23.05 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.542 1.812 . . . . 0.0 110.991 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.67 -40.58 97.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -55.41 -17.77 5.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.354 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.598 ' CG ' ' CE2' ' A' ' 76' ' ' TYR . 0.4 OUTLIER -111.37 -32.74 6.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.701 HD13 ' O ' ' A' ' 64' ' ' LEU . 0.6 OUTLIER -58.64 -17.11 19.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.33 -33.41 55.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -82.0 -44.1 7.83 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.919 ' HB3' HG22 ' A' ' 73' ' ' VAL . 11.5 mt -39.88 111.97 0.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 0.778 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.35 -38.12 5.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.335 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.988 ' O ' HG23 ' A' ' 73' ' ' VAL . 46.8 p -136.34 175.7 9.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.458 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.757 ' O ' HG23 ' A' ' 74' ' ' VAL . 5.3 t -57.75 -47.66 85.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -50.83 -39.13 38.84 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.511 ' C ' HD22 ' A' ' 67' ' ' LEU . 7.9 t0 -80.62 -30.71 36.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 0.782 . . . . 0.0 109.347 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.988 HG23 ' O ' ' A' ' 69' ' ' THR . 44.2 t -78.43 -13.62 13.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 1.039 HG13 HD12 ' A' ' 8' ' ' ILE . 93.5 t -97.03 -56.74 4.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.654 ' HB1' ' HG3' ' A' ' 79' ' ' LYS . . . -46.86 -56.26 6.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.904 ' CD2' HD21 ' A' ' 67' ' ' LEU . 1.9 m-30 -42.29 -28.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 110.951 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.777 HD11 HD11 ' A' ' 59' ' ' ILE . 5.3 mt -81.65 -77.42 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.414 1.071 . . . . 0.0 109.355 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 79' ' ' LYS . 45.9 mt-30 -49.33 -53.22 23.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.654 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.361 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.479 ' N ' ' HB2' ' A' ' 7' ' ' GLU . 1.3 t . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.467 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 5.4 tp60 -53.21 -67.96 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.242 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.761 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -50.77 -19.83 1.08 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.442 1.089 . . . . 0.0 110.338 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.479 ' HB2' ' N ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -74.79 -44.18 50.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 1.04 ' CD1' HG13 ' A' ' 74' ' ' VAL . 5.4 mt -92.79 -3.69 10.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.482 HD11 ' HB3' ' A' ' 29' ' ' PRO . 2.8 mt -106.03 -42.84 6.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 109.201 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.761 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -91.74 -34.38 14.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.456 1.097 . . . . 0.0 109.342 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -71.09 -42.21 59.17 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 0.0 110.954 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -74.33 -53.26 17.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.506 0.768 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -42.78 -46.2 5.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -56.92 -47.89 79.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.336 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.408 HG23 ' NE2' ' A' ' 50' ' ' GLN . 60.6 mt -64.45 -42.78 96.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.0 mt -53.09 -35.85 23.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.445 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 2.0 tm-20 -72.55 0.4 10.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.356 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.0 -42.89 4.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.719 HG12 ' OG ' ' A' ' 43' ' ' SER . 2.8 t -84.82 -65.06 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.585 HG23 HD11 ' A' ' 47' ' ' ILE . 68.8 p -76.08 -25.77 55.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.387 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.55 23.4 73.17 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.618 1.198 . . . . 0.0 111.005 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.502 HG22 ' N ' ' A' ' 23' ' ' GLU . 54.8 mt -84.66 165.34 2.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 0.784 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.502 ' N ' HG22 ' A' ' 22' ' ' ILE . 3.5 mt-10 -68.36 152.93 96.25 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.329 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -49.94 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.477 1.777 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.16 -23.88 65.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.037 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.451 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 2.3 tm-20 -60.52 -41.79 95.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.316 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.487 ' N ' ' CD1' ' A' ' 27' ' ' ILE . 0.7 OUTLIER -64.59 135.36 28.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.42 ' C ' ' H ' ' A' ' 30' ' ' GLU . 1.0 OUTLIER -145.07 165.16 23.23 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 110.431 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.482 ' HB3' HD11 ' A' ' 9' ' ' ILE . 18.5 Cg_endo -74.9 43.27 0.94 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.52 1.8 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.42 ' H ' ' C ' ' A' ' 28' ' ' THR . 0.4 OUTLIER -141.11 9.32 2.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 110.322 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.443 ' O ' HG22 ' A' ' 69' ' ' THR . 0.3 OUTLIER -68.83 165.98 18.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.204 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.726 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -129.26 12.2 6.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.101 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.585 ' HA ' HD12 ' A' ' 37' ' ' LEU . 0.7 OUTLIER 78.18 -28.55 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 111.023 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.539 HG12 ' N ' ' A' ' 35' ' ' ASP . 0.9 OUTLIER -141.07 -58.56 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.539 ' N ' HG12 ' A' ' 34' ' ' VAL . 7.7 t70 -39.11 -31.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.442 ' N ' ' C ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -106.65 -65.83 1.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 33' ' ' PHE . 81.3 mt -44.98 -52.5 8.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 34' ' ' VAL . 3.7 t0 64.03 16.41 9.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.687 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -99.21 -17.03 6.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.555 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 5.6 t70 87.14 -170.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.155 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.759 ' O ' HG23 ' A' ' 45' ' ' VAL . 19.7 p -88.53 5.08 44.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 110.033 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.53 -68.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.25 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.719 ' OG ' HG12 ' A' ' 19' ' ' VAL . 23.1 t -64.67 -46.94 80.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.004 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.54 ' SD ' ' CE1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -46.7 -36.87 7.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 41' ' ' SER . 2.6 t -60.8 -33.89 57.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.607 ' CB ' HG11 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -73.04 -54.03 9.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.585 HD11 HG23 ' A' ' 20' ' ' THR . 3.8 mt -44.11 -40.71 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.855 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -72.67 -50.49 24.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 109.237 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.594 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -47.13 -26.07 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 54' ' ' LYS . 45.4 mt-30 -89.06 -59.86 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.9 m -51.65 -38.55 55.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 110.373 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.855 ' OE1' ' HB1' ' A' ' 48' ' ' ALA . 1.0 OUTLIER -74.99 -1.4 22.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.376 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.85 -63.25 1.45 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 0.0 109.334 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 50' ' ' GLN . 24.7 mttt -46.28 -42.14 14.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -103.89 -49.2 3.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.52 19.08 11.67 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.526 1.141 . . . . 0.0 111.036 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.446 ' CG2' ' HG3' ' A' ' 52' ' ' GLU . 2.7 m -57.45 156.32 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.76 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.99 101.12 12.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.577 ' O ' HG22 ' A' ' 59' ' ' ILE . 43.0 mt -149.92 70.02 9.31 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 169.07 23.44 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.483 1.781 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.53 -40.81 65.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -52.88 -19.9 2.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.604 ' CG ' ' CD2' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -113.19 -33.94 5.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.273 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.533 HD13 ' O ' ' A' ' 64' ' ' LEU . 0.7 OUTLIER -60.74 -15.36 28.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.36 -38.68 34.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.125 . . . . 0.0 109.248 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -79.17 -43.92 10.24 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.525 1.141 . . . . 0.0 111.047 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.924 ' HB3' HG22 ' A' ' 73' ' ' VAL . 13.2 mt -39.8 109.76 0.12 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 0.754 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.36 -38.45 6.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 110.261 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.987 ' O ' HG23 ' A' ' 73' ' ' VAL . 46.7 p -135.94 173.72 11.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 110.408 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.642 ' O ' HG23 ' A' ' 74' ' ' VAL . 6.7 t -56.47 -49.32 77.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -49.36 -37.5 25.19 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.583 ' O ' HD22 ' A' ' 67' ' ' LEU . 1.9 t70 -81.83 -26.78 34.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 0.729 . . . . 0.0 109.231 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.987 HG23 ' O ' ' A' ' 69' ' ' THR . 29.8 t -82.99 -13.55 12.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.372 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 1.04 HG13 ' CD1' ' A' ' 8' ' ' ILE . 92.3 t -96.87 -52.9 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.25 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.851 ' HB1' ' HG3' ' A' ' 79' ' ' LYS . . . -52.03 -55.5 20.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.907 ' CD2' HD21 ' A' ' 67' ' ' LEU . 1.8 m-85 -42.07 -23.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 111.008 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.61 HD12 HD13 ' A' ' 8' ' ' ILE . 4.4 mt -82.59 -70.97 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.414 ' HB2' ' HZ3' ' A' ' 79' ' ' LYS . 36.0 mt-30 -61.41 -52.17 65.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.851 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 4.0 mmtm . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.459 HG23 ' N ' ' A' ' 5' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.421 -0.214 . . . . 0.0 110.421 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.467 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 4.8 tp60 -48.66 -70.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.363 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.744 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -49.06 -20.58 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.414 ' N ' ' C ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -74.62 -43.43 55.47 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 110.251 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 1.06 HD12 HG13 ' A' ' 74' ' ' VAL . 4.1 mt -93.47 -3.33 10.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.622 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.9 mt -106.13 -40.53 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.744 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -94.03 -36.94 11.89 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.96 -39.98 84.67 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.561 1.163 . . . . 0.0 110.956 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.466 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.1 mt -79.15 -53.07 14.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.481 0.753 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.622 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -40.39 -48.64 2.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -60.58 -42.78 97.41 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.473 1.108 . . . . 0.0 110.267 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.662 HG23 ' NE2' ' A' ' 50' ' ' GLN . 66.4 mt -65.3 -46.57 90.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.638 HD12 ' CG1' ' A' ' 27' ' ' ILE . 31.6 mt -53.6 -29.97 17.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 22' ' ' ILE . 0.5 OUTLIER -80.04 5.49 14.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -111.59 -45.24 3.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.813 HG12 ' OG ' ' A' ' 43' ' ' SER . 4.3 t -78.15 -59.7 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.254 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.592 HG22 ' OG ' ' A' ' 43' ' ' SER . 29.3 p -85.08 -30.76 23.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 110.403 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.92 30.38 35.41 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.551 1.157 . . . . 0.0 111.055 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.498 ' O ' ' CG ' ' A' ' 17' ' ' GLU . 30.8 mt -90.03 165.83 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.766 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.488 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.5 OUTLIER -66.1 148.44 98.4 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.395 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.483 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 18.1 Cg_endo -75.09 -51.74 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.449 1.762 . . . . 0.0 110.9 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.58 -24.86 66.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.044 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -62.94 -43.87 97.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.345 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.638 ' CG1' HD12 ' A' ' 16' ' ' ILE . 0.8 OUTLIER -60.15 131.44 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.416 ' C ' ' H ' ' A' ' 30' ' ' GLU . 1.0 OUTLIER -147.58 164.99 20.01 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.392 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 43.67 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.54 1.81 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.416 ' H ' ' C ' ' A' ' 28' ' ' THR . 3.1 mm-40 -133.98 -24.78 1.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.333 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.476 ' O ' HG22 ' A' ' 69' ' ' THR . 1.3 mttt -44.23 166.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.693 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -123.06 13.01 9.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.112 . . . . 0.0 109.982 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.545 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.1 t80 79.42 -30.39 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 111.043 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.565 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -139.79 -58.2 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.565 ' N ' HG12 ' A' ' 34' ' ' VAL . 8.5 t70 -37.94 -33.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -103.12 -67.69 0.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.337 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.494 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 60.5 mt -41.96 -53.5 3.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.5 OUTLIER 66.21 14.92 9.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.701 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -96.64 -17.43 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.579 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 9.7 t0 89.29 -171.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.642 ' O ' HG23 ' A' ' 45' ' ' VAL . 17.0 p -87.35 -5.01 59.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 110.002 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -64.91 0.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.813 ' OG ' HG12 ' A' ' 19' ' ' VAL . 7.3 t -68.01 -49.88 58.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.164 . . . . 0.0 110.067 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.494 ' SD ' ' CD1' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -48.55 -30.32 5.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 41' ' ' SER . 1.4 t -64.42 -35.45 74.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.629 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.4 OUTLIER -70.73 -56.01 7.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.285 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.491 HD11 ' HA ' ' A' ' 16' ' ' ILE . 1.3 mt -41.82 -43.88 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.995 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -69.66 -47.86 61.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.629 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -48.23 -24.57 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.662 ' NE2' HG23 ' A' ' 15' ' ' ILE . 42.1 mt-30 -90.58 -60.64 1.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.3 m -51.78 -37.41 51.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.077 . . . . 0.0 110.436 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.995 ' OE1' ' HB1' ' A' ' 48' ' ' ALA . 9.5 mt-10 -76.16 -2.22 30.03 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.407 1.067 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.57 -60.52 1.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 50' ' ' GLN . 4.0 mtpt -40.97 -41.44 1.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -107.73 -49.45 3.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.949 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 109.94 21.21 7.18 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.742 HG22 ' HA ' ' A' ' 52' ' ' GLU . 19.5 m -57.14 149.21 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.295 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.53 103.45 15.39 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.899 HD11 HG12 ' A' ' 77' ' ' ILE . 28.6 mt -148.1 73.64 11.07 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 0.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 169.32 22.87 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.478 1.778 . . . . 0.0 110.942 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.41 -40.76 75.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.359 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -50.14 -21.8 1.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.559 ' OD1' ' CD2' ' A' ' 76' ' ' TYR . 0.3 OUTLIER -113.82 -34.85 5.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.333 179.896 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.681 HD13 ' O ' ' A' ' 64' ' ' LEU . 0.8 OUTLIER -56.07 -18.89 10.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.29 -38.62 68.73 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.556 1.16 . . . . 0.0 109.335 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -75.09 -50.72 8.23 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.934 ' HB3' HG22 ' A' ' 73' ' ' VAL . 41.5 mt -39.44 119.73 0.98 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 0.776 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.92 -38.99 4.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.384 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.693 HG22 ' HA ' ' A' ' 32' ' ' SER . 70.8 p -133.45 160.73 36.55 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.504 1.128 . . . . 0.0 110.341 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.449 ' O ' HG23 ' A' ' 74' ' ' VAL . 21.7 t -45.74 -52.78 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -46.45 -33.98 6.26 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.431 1.082 . . . . 0.0 111.058 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.59 ' C ' HD22 ' A' ' 67' ' ' LEU . 9.1 t0 -84.01 -35.01 24.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 0.76 . . . . 0.0 109.356 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.934 HG22 ' HB3' ' A' ' 67' ' ' LEU . 24.0 t -72.74 -16.08 17.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 1.06 HG13 HD12 ' A' ' 8' ' ' ILE . 69.8 t -94.32 -57.74 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.376 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.718 ' HB1' ' HG3' ' A' ' 79' ' ' LYS . . . -46.01 -55.32 7.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.903 ' CG ' HD21 ' A' ' 67' ' ' LEU . 1.5 m-85 -43.85 -23.61 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 0.0 111.023 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.899 HG12 HD11 ' A' ' 59' ' ' ILE . 8.6 mt -83.61 -70.65 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.358 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.437 ' HB2' ' NZ ' ' A' ' 79' ' ' LYS . 66.2 mt-30 -59.67 -52.84 63.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.718 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 1.2 mmtm . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.583 1.177 . . . . 0.0 109.279 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.473 HG23 ' N ' ' A' ' 5' ' ' GLN . 1.5 t . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.395 -0.224 . . . . 0.0 110.395 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.473 ' N ' HG23 ' A' ' 4' ' ' THR . 3.5 tp60 -63.58 -61.68 2.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.792 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -53.01 -17.46 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.36 -45.37 32.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 1.083 ' CD1' HG13 ' A' ' 74' ' ' VAL . 8.2 mt -91.94 -3.56 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.246 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.5 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.9 mt -105.89 -42.28 6.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.792 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -92.45 -34.68 14.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.97 -40.34 62.76 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.442 1.089 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -76.9 -53.17 15.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.51 0.771 . . . . 0.0 109.275 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -41.44 -47.52 3.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -57.75 -48.11 80.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.331 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.1 mt -62.62 -41.31 91.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.633 HG23 ' OG1' ' A' ' 20' ' ' THR . 5.2 mt -53.8 -31.1 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -77.55 2.24 17.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 110.235 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -107.19 -59.11 1.86 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 110.347 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.885 HG12 ' OG ' ' A' ' 43' ' ' SER . 19.4 t -79.26 -64.87 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.75 HG22 HG13 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -63.63 -37.8 88.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.388 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 16' ' ' ILE . . . 81.96 21.07 61.89 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.526 1.141 . . . . 0.0 111.038 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.736 HD12 ' HB ' ' A' ' 20' ' ' THR . 12.1 mt -89.64 166.43 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.598 0.823 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.509 ' N ' HG22 ' A' ' 22' ' ' ILE . 1.0 OUTLIER -71.0 151.84 94.98 Favored Pre-proline 0 C--N 1.326 -0.415 0 O-C-N 124.483 1.114 . . . . 0.0 110.319 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -49.35 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.471 1.774 . . . . 0.0 110.959 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.44 -26.19 65.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 110.036 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.435 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -62.84 -44.46 96.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.098 . . . . 0.0 110.334 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.87 ' O ' HG23 ' A' ' 28' ' ' THR . 0.6 OUTLIER -56.72 156.03 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.87 HG23 ' O ' ' A' ' 27' ' ' ILE . 0.6 OUTLIER -166.76 167.09 8.27 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.363 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.455 ' HA ' ' HB ' ' A' ' 70' ' ' VAL . 18.2 Cg_endo -75.01 2.0 7.12 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.521 1.801 . . . . 0.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.03 -5.15 55.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -68.09 162.94 23.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.778 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -118.96 14.25 13.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.163 . . . . 0.0 109.977 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.603 ' CE2' ' SD ' ' A' ' 44' ' ' MET . 1.0 OUTLIER 79.78 -33.77 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.998 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.565 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -136.22 -57.7 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.565 ' N ' HG12 ' A' ' 34' ' ' VAL . 13.8 t0 -37.12 -35.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -101.55 -67.61 0.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.367 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.592 HD12 ' O ' ' A' ' 33' ' ' PHE . 50.0 mt -38.96 -51.26 1.79 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 109.393 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER 65.37 12.67 8.28 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.75 HG13 HG22 ' A' ' 20' ' ' THR . 0.2 OUTLIER -90.87 -19.26 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.525 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 1.1 t70 83.99 -163.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.707 ' O ' HG23 ' A' ' 45' ' ' VAL . 46.7 p -91.2 5.76 47.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.977 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.01 -72.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 109.392 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.885 ' OG ' HG12 ' A' ' 19' ' ' VAL . 12.6 t -63.64 -44.62 93.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.981 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.603 ' SD ' ' CE2' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -47.82 -38.95 17.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.924 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 41' ' ' SER . 2.7 t -60.9 -30.74 48.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.575 1.172 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.768 ' CB ' HG11 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -76.84 -51.37 11.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.365 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.564 HD11 ' OG1' ' A' ' 20' ' ' THR . 2.9 mt -55.52 -24.27 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.627 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -87.58 -44.73 11.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.615 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -49.18 -26.32 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 54' ' ' LYS . 57.2 mt-30 -89.68 -60.35 1.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -52.19 -36.86 53.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.364 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.627 ' OE1' ' HB1' ' A' ' 48' ' ' ALA . 11.9 mt-10 -76.66 -1.57 28.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.401 1.063 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.42 -59.75 1.9 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 50' ' ' GLN . 11.6 mtpp -41.35 -40.66 1.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.524 ' CD1' ' CG1' ' A' ' 57' ' ' VAL . 33.5 t80 -110.38 -53.72 2.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.093 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 112.3 38.78 1.31 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.615 HG22 ' HA ' ' A' ' 52' ' ' GLU . 17.6 m -76.01 149.21 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 0.767 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.61 112.04 24.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.705 ' O ' HG22 ' A' ' 59' ' ' ILE . 59.8 mt -145.03 67.61 13.51 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 109.203 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 171.47 18.27 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.436 1.756 . . . . 0.0 110.969 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.28 -40.86 62.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -50.08 -21.98 1.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.503 ' CG ' ' CD2' ' A' ' 76' ' ' TYR . 0.6 OUTLIER -114.62 -36.46 4.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.685 HD13 ' O ' ' A' ' 64' ' ' LEU . 0.5 OUTLIER -59.35 -16.55 23.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.367 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.79 -39.97 42.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.93 -43.4 9.94 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.55 1.156 . . . . 0.0 110.963 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.902 HD21 ' CD2' ' A' ' 76' ' ' TYR . 24.5 mt -44.54 118.29 1.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 0.744 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.33 -39.02 4.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.332 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.861 ' O ' HG23 ' A' ' 73' ' ' VAL . 20.4 p -135.9 177.36 7.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.593 1.183 . . . . 0.0 110.415 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.543 HG12 ' CG2' ' A' ' 74' ' ' VAL . 4.1 t -57.15 -55.97 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.236 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -44.17 -29.13 1.52 Allowed Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.584 1.178 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.627 ' C ' HD22 ' A' ' 67' ' ' LEU . 9.5 t0 -88.82 -40.35 13.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 0.738 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.889 HG22 ' HB3' ' A' ' 67' ' ' LEU . 21.9 t -72.59 -14.53 17.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.399 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 1.083 HG13 ' CD1' ' A' ' 8' ' ' ILE . 77.3 t -96.48 -57.11 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.428 ' C ' ' N ' ' A' ' 77' ' ' ILE . . . -48.43 -55.1 11.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.357 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.902 ' CD2' HD21 ' A' ' 67' ' ' LEU . 1.7 m-85 -42.82 -24.95 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.793 HD12 HD13 ' A' ' 8' ' ' ILE . 6.6 mt -81.38 -55.67 7.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.601 1.188 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -66.68 -50.63 62.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 110.352 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.416 1.073 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.71 HG22 ' OE1' ' A' ' 7' ' ' GLU . 1.1 t . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.457 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 4.2 tp60 -53.77 -67.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.762 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -51.1 -19.71 1.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.419 1.075 . . . . 0.0 110.315 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.71 ' OE1' HG22 ' A' ' 4' ' ' THR . 0.0 OUTLIER -75.17 -42.82 55.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 1.044 ' CD1' HG13 ' A' ' 74' ' ' VAL . 4.8 mt -94.08 -3.92 10.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.582 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.9 mt -106.21 -42.18 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.762 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -93.0 -36.42 12.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.79 -43.03 76.95 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.54 1.15 . . . . 0.0 111.029 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -75.71 -53.25 16.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.485 0.756 . . . . 0.0 109.221 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.582 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -41.7 -46.44 3.76 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -58.16 -46.56 85.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.439 ' CG2' ' HA ' ' A' ' 47' ' ' ILE . 34.0 mt -64.75 -45.07 96.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.514 HG22 ' HB ' ' A' ' 22' ' ' ILE . 17.5 mt -53.19 -32.35 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 109.247 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.515 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 2.2 tm-20 -78.18 4.99 11.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.573 1.171 . . . . 0.0 110.359 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 15' ' ' ILE . 0.9 OUTLIER -112.25 -43.92 3.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.308 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.816 HG12 ' OG ' ' A' ' 43' ' ' SER . 3.0 t -82.03 -56.76 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.607 HG23 HD11 ' A' ' 47' ' ' ILE . 18.0 p -88.34 -23.45 23.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.425 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.4 20.29 77.16 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.516 HG22 ' N ' ' A' ' 23' ' ' GLU . 64.5 mt -75.86 166.52 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.413 0.714 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.516 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -70.82 150.31 95.18 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.333 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -49.23 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.5 -20.64 63.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.015 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.437 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 2.2 tt0 -65.67 -51.58 58.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.262 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.509 HG12 HD12 ' A' ' 16' ' ' ILE . 0.8 OUTLIER -53.95 128.5 13.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 109.37 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.437 ' C ' ' H ' ' A' ' 30' ' ' GLU . 1.0 OUTLIER -140.67 165.32 30.61 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 0.0 110.465 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.453 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 18.2 Cg_endo -75.03 42.24 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.479 1.778 . . . . 0.0 110.964 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.437 ' H ' ' C ' ' A' ' 28' ' ' THR . 1.9 mm-40 -136.66 5.31 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.416 ' HB2' HG23 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -67.06 167.15 12.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.242 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.952 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -128.49 14.37 6.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.983 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.741 ' CD1' ' HE2' ' A' ' 44' ' ' MET . 1.3 t80 81.18 -38.38 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 111.076 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.532 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -137.65 -55.37 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.532 ' N ' HG12 ' A' ' 34' ' ' VAL . 8.7 t70 -38.23 -31.4 0.05 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -106.95 -68.05 0.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.515 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 58.5 mt -41.8 -55.83 2.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.81 12.18 8.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.35 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.67 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -94.06 -17.88 7.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.533 1.145 . . . . 0.0 109.268 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.583 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 11.4 t0 89.53 -172.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.651 ' O ' HG23 ' A' ' 45' ' ' VAL . 90.0 p -89.48 -3.07 58.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.978 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.73 -63.51 1.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.816 ' OG ' HG12 ' A' ' 19' ' ' VAL . 8.2 t -65.85 -55.34 17.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 109.952 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.741 ' HE2' ' CD1' ' A' ' 33' ' ' PHE . 11.4 mmm -43.97 -38.03 3.26 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.475 1.109 . . . . 0.0 110.993 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 41' ' ' SER . 1.4 t -54.63 -37.85 40.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.463 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -72.15 -52.96 14.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.078 . . . . 0.0 110.313 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.607 HD11 HG23 ' A' ' 20' ' ' THR . 1.6 mt -40.35 -43.55 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.635 ' HB1' ' OE2' ' A' ' 52' ' ' GLU . . . -74.92 -51.13 14.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.463 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -45.93 -26.34 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 109.285 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' A' ' 54' ' ' LYS . 45.2 mt-30 -88.05 -60.82 1.86 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.541 ' O ' HG23 ' A' ' 57' ' ' VAL . 1.0 OUTLIER -51.96 -38.72 57.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 0.0 110.43 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.635 ' OE2' ' HB1' ' A' ' 48' ' ' ALA . 0.8 OUTLIER -73.81 -1.7 20.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.72 -64.96 1.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.165 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 50' ' ' GLN . 13.8 mttt -45.48 -40.75 8.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.241 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.63 -43.47 5.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 111.025 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.7 36.28 5.11 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.426 1.079 . . . . 0.0 111.015 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.729 HG12 ' H ' ' A' ' 58' ' ' LYS . 2.1 t -65.05 -176.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.583 0.814 . . . . 0.0 109.356 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.729 ' H ' HG12 ' A' ' 57' ' ' VAL . 0.6 OUTLIER -130.29 100.01 5.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.77 HD11 HG12 ' A' ' 77' ' ' ILE . 24.1 mt -153.49 76.89 6.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 170.47 20.34 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.504 1.792 . . . . 0.0 110.981 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.01 -40.51 89.52 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 0.0 109.211 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -50.76 -21.41 1.63 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.149 . . . . 0.0 110.316 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.599 ' CG ' ' CE2' ' A' ' 76' ' ' TYR . 0.7 OUTLIER -113.06 -34.15 5.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.612 HD13 ' O ' ' A' ' 64' ' ' LEU . 1.1 tm? -56.57 -18.26 11.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.36 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.92 -41.39 59.76 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.16 -45.92 37.75 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 110.948 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.949 HD21 ' CD2' ' A' ' 76' ' ' TYR . 21.1 mt -40.82 124.52 2.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 0.765 . . . . 0.0 109.291 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.14 -40.88 3.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.41 1.069 . . . . 0.0 110.291 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.952 HG22 ' HA ' ' A' ' 32' ' ' SER . 37.9 p -136.9 168.36 19.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.389 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.851 ' O ' HG23 ' A' ' 74' ' ' VAL . 12.9 t -48.89 -45.86 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.16 . . . . 0.0 109.352 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -53.57 -36.74 54.84 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.443 1.089 . . . . 0.0 110.959 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.63 ' O ' HD22 ' A' ' 67' ' ' LEU . 4.2 t0 -82.61 -33.6 27.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.39 0.7 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.906 HG22 ' HB3' ' A' ' 67' ' ' LEU . 21.8 t -75.57 -14.31 15.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 1.044 HG13 ' CD1' ' A' ' 8' ' ' ILE . 94.5 t -95.2 -56.46 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.15 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.83 ' HB1' ' HG3' ' A' ' 79' ' ' LYS . . . -45.29 -56.79 4.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.113 . . . . 0.0 109.348 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.949 ' CD2' HD21 ' A' ' 67' ' ' LEU . 1.4 m-30 -43.11 -25.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 111.045 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.77 HG12 HD11 ' A' ' 59' ' ' ILE . 5.4 mt -79.91 -77.12 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 79' ' ' LYS . 40.4 mt-30 -54.87 -50.96 67.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.83 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.522 HG23 ' N ' ' A' ' 5' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.522 ' N ' HG23 ' A' ' 4' ' ' THR . 5.1 tp60 -49.23 -70.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.308 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.746 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -49.48 -20.43 0.72 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 0.0 110.33 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 5' ' ' GLN . 0.1 OUTLIER -74.65 -42.28 58.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.328 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 1.081 ' CD1' HG13 ' A' ' 74' ' ' VAL . 4.4 mt -95.0 -3.23 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.563 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.9 mt -106.69 -41.08 5.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.746 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -95.18 -35.86 11.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.589 1.181 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.7 -39.41 77.41 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.488 1.117 . . . . 0.0 111.038 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.405 ' HB ' ' O ' ' A' ' 8' ' ' ILE . 0.7 OUTLIER -79.94 -53.3 13.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.435 0.727 . . . . 0.0 109.279 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.563 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -42.85 -50.0 5.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.51 -45.06 85.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.474 HG22 ' CG1' ' A' ' 47' ' ' ILE . 91.3 mt -63.98 -45.22 97.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.541 ' HA ' HD11 ' A' ' 47' ' ' ILE . 6.7 mt -53.72 -33.78 23.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.52 0.71 13.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.348 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -106.42 -44.15 4.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.155 . . . . 0.0 110.267 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.801 HG12 ' OG ' ' A' ' 43' ' ' SER . 3.1 t -83.27 -67.41 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.418 HG22 ' CB ' ' A' ' 43' ' ' SER . 67.7 p -75.51 -20.84 58.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.429 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 70.79 22.33 78.17 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.514 HG22 ' N ' ' A' ' 23' ' ' GLU . 61.7 mt -80.53 166.48 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.758 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.514 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -69.38 151.17 96.94 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.282 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.415 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 18.2 Cg_endo -74.99 -49.61 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.556 1.819 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.54 -25.81 66.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 109.986 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.442 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 4.1 tt0 -62.14 -45.15 94.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.32 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.572 ' O ' HG23 ' A' ' 28' ' ' THR . 0.7 OUTLIER -61.72 142.81 15.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.35 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 27' ' ' ILE . 0.1 OUTLIER -159.85 170.17 9.14 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.369 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.414 ' HA ' ' HB ' ' A' ' 70' ' ' VAL . 18.2 Cg_endo -75.0 42.62 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.477 1.777 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.436 ' H ' ' C ' ' A' ' 28' ' ' THR . 2.9 mm-40 -129.36 -25.34 2.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.281 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.485 ' O ' HG22 ' A' ' 69' ' ' THR . 2.4 mttt -43.34 159.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.569 1.168 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.718 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -121.69 14.46 10.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.94 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.597 ' CE1' ' SD ' ' A' ' 44' ' ' MET . 1.0 OUTLIER 80.01 -30.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.558 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -143.18 -57.17 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.574 1.171 . . . . 0.0 109.256 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.558 ' N ' HG12 ' A' ' 34' ' ' VAL . 3.3 t70 -37.78 -32.4 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 109.227 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -106.4 -67.73 0.92 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' A' ' 33' ' ' PHE . 80.3 mt -43.51 -51.16 6.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 34' ' ' VAL . 1.2 t0 61.67 16.47 7.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.637 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -98.33 -15.28 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.54 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 15.0 t0 85.76 -170.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.605 ' O ' HG23 ' A' ' 45' ' ' VAL . 54.8 p -88.68 1.78 54.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.046 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.08 -65.49 0.69 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.801 ' OG ' HG12 ' A' ' 19' ' ' VAL . 11.6 t -68.1 -48.73 64.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.96 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.597 ' SD ' ' CE1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -49.44 -28.75 5.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 111.008 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 41' ' ' SER . 1.3 t -66.76 -35.01 73.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.6 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -69.4 -55.9 8.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.138 . . . . 0.0 110.343 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.541 HD11 ' HA ' ' A' ' 16' ' ' ILE . 1.5 mt -43.4 -45.45 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.03 -50.18 62.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.6 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -48.19 -25.39 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 54' ' ' LYS . 49.8 mt-30 -89.55 -60.21 2.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.416 1.072 . . . . 0.0 110.271 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.465 HG22 HG21 ' A' ' 57' ' ' VAL . 3.0 m -51.66 -38.22 53.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.458 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.7 ' HA ' HG22 ' A' ' 57' ' ' VAL . 15.2 mt-10 -75.34 -1.87 25.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 0.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.17 -61.03 1.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' GLN . 2.7 mtpt -41.72 -42.27 2.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.412 1.07 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -108.66 -53.78 2.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 114.75 27.98 3.09 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.432 1.083 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.7 HG22 ' HA ' ' A' ' 52' ' ' GLU . 19.5 m -61.23 148.69 9.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.439 0.729 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.8 105.26 16.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.589 HD11 HD11 ' A' ' 77' ' ' ILE . 10.1 mt -148.12 75.68 10.6 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 169.7 22.04 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.49 1.784 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.85 -40.54 80.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.34 -25.33 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.376 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.712 ' CB ' ' CE2' ' A' ' 76' ' ' TYR . 0.1 OUTLIER -112.95 -39.67 4.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.521 HD11 ' CZ ' ' A' ' 33' ' ' PHE . 0.7 OUTLIER -50.58 -22.9 2.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.04 -42.14 69.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 109.362 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -74.69 -46.76 17.2 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.487 1.117 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.924 ' HB3' HG22 ' A' ' 73' ' ' VAL . 8.6 mt -39.41 125.34 1.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 109.328 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.82 -41.52 3.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 110.352 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.735 ' O ' HG23 ' A' ' 73' ' ' VAL . 70.6 p -131.69 165.57 23.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.38 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.94 ' O ' HG23 ' A' ' 74' ' ' VAL . 11.6 t -51.6 -44.83 35.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -51.84 -33.81 36.21 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.553 1.158 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -84.8 -33.05 23.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 0.743 . . . . 0.0 109.324 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.924 HG22 ' HB3' ' A' ' 67' ' ' LEU . 13.8 t -78.0 -11.66 13.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.559 1.162 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 1.081 HG13 ' CD1' ' A' ' 8' ' ' ILE . 64.0 t -96.75 -56.62 5.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.524 ' HB1' ' HG3' ' A' ' 79' ' ' LYS . . . -44.81 -57.22 3.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.712 ' CE2' ' CB ' ' A' ' 63' ' ' ASP . 2.2 t80 -43.3 -27.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 111.059 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.63 HD12 HD13 ' A' ' 8' ' ' ILE . 4.7 mt -81.55 -76.52 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 79' ' ' LYS . 46.3 mt-30 -49.88 -53.06 28.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.549 1.155 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.524 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 12.6 mmmm . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.471 ' N ' ' HB2' ' A' ' 7' ' ' GLU . 8.1 t . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.473 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 4.6 tp60 -54.66 -66.92 0.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 110.306 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.749 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -51.38 -19.96 1.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.471 ' HB2' ' N ' ' A' ' 4' ' ' THR . 0.8 OUTLIER -74.25 -42.63 59.36 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.501 1.126 . . . . 0.0 110.355 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 1.029 ' CD1' HG13 ' A' ' 74' ' ' VAL . 6.0 mt -94.66 -4.81 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.56 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 3.0 mt -104.61 -40.48 6.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.749 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -94.33 -33.86 13.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -71.31 -40.24 60.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.3 mt -79.43 -54.41 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 0.775 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.56 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -40.68 -49.79 3.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.302 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -59.16 -41.98 89.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.355 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.547 HG23 ' NE2' ' A' ' 50' ' ' GLN . 40.1 mt -66.48 -46.33 86.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.749 HD12 HG12 ' A' ' 27' ' ' ILE . 36.6 mt -53.42 -32.25 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.511 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 1.3 tm-20 -79.06 3.55 17.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -109.89 -45.82 3.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 110.348 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.859 HG12 ' OG ' ' A' ' 43' ' ' SER . 2.4 t -79.46 -66.24 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.772 HG22 ' HB3' ' A' ' 43' ' ' SER . 18.1 p -76.53 -29.96 56.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.407 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.2 22.92 56.23 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.523 HG22 ' N ' ' A' ' 23' ' ' GLU . 47.9 mt -82.3 166.74 2.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.533 0.784 . . . . 0.0 109.241 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.523 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -69.53 152.45 96.32 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.456 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 18.1 Cg_endo -75.02 -54.85 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.537 1.809 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.93 -23.14 66.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 109.999 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.427 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 17.4 tt0 -61.56 -42.85 99.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.799 ' O ' HG23 ' A' ' 28' ' ' THR . 0.7 OUTLIER -62.16 146.9 11.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.799 HG23 ' O ' ' A' ' 27' ' ' ILE . 0.7 OUTLIER -163.69 166.62 12.25 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.376 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.407 ' HD2' ' HB ' ' A' ' 28' ' ' THR . 18.3 Cg_endo -74.92 48.51 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.452 1.764 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -137.76 -27.87 0.91 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.428 ' O ' ' HB ' ' A' ' 69' ' ' THR . 3.2 mttt -42.95 157.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.707 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -116.71 15.0 15.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.969 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.558 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.2 t80 79.98 -30.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 111.019 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.566 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -142.49 -57.21 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 109.351 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.566 ' N ' HG12 ' A' ' 34' ' ' VAL . 16.2 t0 -37.18 -33.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -105.4 -67.44 0.92 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.358 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.419 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 73.3 mt -39.84 -52.03 2.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER 63.59 13.53 7.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.907 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.626 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -94.05 -20.09 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.594 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 8.9 t0 89.51 -171.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.619 ' O ' HG23 ' A' ' 45' ' ' VAL . 35.6 t -87.23 1.57 52.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.017 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -69.45 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.357 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.859 ' OG ' HG12 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -67.24 -43.11 82.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.033 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.419 ' SD ' ' CD1' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -52.65 -31.48 37.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.996 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 41' ' ' SER . 1.4 t -63.29 -36.18 75.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.353 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.539 ' HB2' HG11 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -71.69 -56.46 5.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 110.27 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.619 HD11 HG23 ' A' ' 20' ' ' THR . 2.5 mt -39.36 -41.43 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.33 -45.3 26.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -48.82 -26.52 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.12 . . . . 0.0 109.373 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.547 ' NE2' HG23 ' A' ' 15' ' ' ILE . 51.2 mt-30 -87.49 -60.29 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.332 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.591 HG22 HG21 ' A' ' 57' ' ' VAL . 1.1 m -51.49 -39.07 56.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.64 ' HA ' HG22 ' A' ' 57' ' ' VAL . 20.3 mt-10 -74.12 -1.97 22.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.331 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.26 -62.12 1.62 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.441 1.088 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 50' ' ' GLN . 11.5 mtpp -40.96 -40.8 1.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.348 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.477 ' CD1' HG13 ' A' ' 57' ' ' VAL . 33.0 t80 -108.34 -46.77 3.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 110.921 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 109.48 10.18 23.98 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.518 1.137 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.64 HG22 ' HA ' ' A' ' 52' ' ' GLU . 33.2 m -47.59 154.85 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.385 0.697 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.48 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -110.06 121.6 45.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.783 HD11 HD11 ' A' ' 77' ' ' ILE . 21.0 mt -155.58 73.43 5.38 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 170.6 20.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.509 1.794 . . . . 0.0 110.955 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.422 ' C ' ' N ' ' A' ' 63' ' ' ASP . 0.4 OUTLIER -55.18 -39.49 69.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -41.63 -27.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.287 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.705 ' CB ' ' CE2' ' A' ' 76' ' ' TYR . 0.1 OUTLIER -116.14 -43.47 2.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.636 HD23 HG22 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -47.2 -25.3 0.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 63' ' ' ASP . . . -69.68 -44.83 69.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . -74.66 -48.07 13.81 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.457 1.098 . . . . 0.0 111.032 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.883 ' HB3' HG22 ' A' ' 73' ' ' VAL . 19.5 mt -39.31 122.9 1.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 109.235 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.64 -38.82 3.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.766 ' O ' HG23 ' A' ' 73' ' ' VAL . 73.2 p -130.55 166.24 21.03 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.498 1.123 . . . . 0.0 110.371 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.583 ' O ' HG23 ' A' ' 74' ' ' VAL . 12.0 t -52.92 -47.56 52.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -52.71 -30.4 35.47 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.439 1.087 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.689 ' O ' HD22 ' A' ' 67' ' ' LEU . 6.1 t0 -86.0 -27.98 24.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 0.735 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.883 HG22 ' HB3' ' A' ' 67' ' ' LEU . 21.2 t -82.87 -19.14 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.227 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 1.029 HG13 ' CD1' ' A' ' 8' ' ' ILE . 91.0 t -90.87 -50.21 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.348 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.505 ' HB1' ' HG3' ' A' ' 79' ' ' LYS . . . -47.24 -56.8 6.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.705 ' CE2' ' CB ' ' A' ' 63' ' ' ASP . 4.6 t80 -45.06 -31.11 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.948 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.783 HD11 HD11 ' A' ' 59' ' ' ILE . 12.3 mt -81.75 -73.11 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.291 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.485 ' NE2' ' CG1' ' A' ' 74' ' ' VAL . 44.4 mt-30 -49.7 -56.71 9.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.505 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 16.8 mmmt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.48 ' N ' ' HB2' ' A' ' 7' ' ' GLU . 1.9 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.451 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 4.6 tp60 -53.17 -67.22 0.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.769 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -51.48 -19.76 1.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.48 ' HB2' ' N ' ' A' ' 4' ' ' THR . 0.3 OUTLIER -74.9 -42.68 57.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.323 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 1.055 ' CD1' HG13 ' A' ' 74' ' ' VAL . 4.9 mt -94.45 -4.15 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.574 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.8 mt -105.66 -41.16 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.595 1.184 . . . . 0.0 109.245 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.769 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -93.63 -35.29 12.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.02 -40.69 72.84 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.522 1.139 . . . . 0.0 111.056 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.0 OUTLIER -78.37 -53.31 14.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.484 0.755 . . . . 0.0 109.256 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.574 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -41.83 -46.42 3.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.62 -43.71 97.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.43 ' N ' ' O ' ' A' ' 12' ' ' ILE . 28.7 mt -65.2 -44.15 95.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.369 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.2 mt -54.32 -32.82 24.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.506 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 1.1 tm-20 -75.82 2.06 13.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -109.74 -39.69 5.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.738 HG12 ' OG ' ' A' ' 43' ' ' SER . 3.2 t -86.52 -60.08 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 109.306 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.616 HG22 ' OG ' ' A' ' 43' ' ' SER . 31.2 p -83.9 -22.18 31.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.424 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 74.5 21.5 78.68 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.475 1.109 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.512 HG22 ' N ' ' A' ' 23' ' ' GLU . 59.5 mt -80.42 167.0 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 0.752 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.512 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -71.67 151.03 93.52 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -49.5 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.475 1.776 . . . . 0.0 110.969 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.7 -25.35 67.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -62.46 -44.13 97.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.152 . . . . 0.0 110.317 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.47 ' N ' ' CD1' ' A' ' 27' ' ' ILE . 0.6 OUTLIER -64.39 135.51 27.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.419 ' C ' ' H ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -152.79 171.35 6.85 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 110.38 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.413 ' HD2' ' HB ' ' A' ' 28' ' ' THR . 18.3 Cg_endo -75.0 43.72 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.496 1.787 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.419 ' H ' ' C ' ' A' ' 28' ' ' THR . 1.6 mm-40 -139.36 9.06 2.47 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.518 1.137 . . . . 0.0 110.319 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.402 ' HB2' HG23 ' A' ' 70' ' ' VAL . 1.5 mmtt -74.31 167.16 22.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.84 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -128.06 11.58 6.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 109.988 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.573 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.5 t80 80.3 -36.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.538 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -136.74 -56.5 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.367 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.538 ' N ' HG12 ' A' ' 34' ' ' VAL . 4.5 t70 -38.58 -31.16 0.05 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.091 . . . . 0.0 109.269 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -105.56 -67.91 0.9 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.242 -179.909 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.8 mt -42.13 -55.17 3.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 68.07 12.75 8.92 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.676 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -93.21 -19.79 6.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.572 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 14.7 t0 89.06 -170.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.647 ' O ' HG23 ' A' ' 45' ' ' VAL . 45.0 p -85.58 1.37 49.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.966 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.06 -68.45 0.38 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.738 ' OG ' HG12 ' A' ' 19' ' ' VAL . 23.0 t -67.13 -47.85 69.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.978 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.441 ' SD ' ' CE1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -47.71 -31.69 5.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 111.016 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 41' ' ' SER . 1.8 t -65.37 -34.73 72.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.611 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.3 OUTLIER -72.84 -55.67 6.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.249 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.614 HD11 HG23 ' A' ' 20' ' ' THR . 3.9 mt -41.09 -41.81 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.568 1.167 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.958 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -75.01 -47.27 29.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -47.93 -25.89 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 54' ' ' LYS . 49.6 mt-30 -89.41 -60.72 1.87 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.117 . . . . 0.0 110.333 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.735 HG22 HG21 ' A' ' 57' ' ' VAL . 1.2 m -52.07 -37.39 53.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.385 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.958 ' OE1' ' HB1' ' A' ' 48' ' ' ALA . 13.7 mt-10 -75.41 -1.76 25.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.02 -63.19 1.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 109.319 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 50' ' ' GLN . 16.3 mtpt -45.29 -40.95 8.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 109.371 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.515 ' HB3' HG13 ' A' ' 57' ' ' VAL . 0.9 OUTLIER -105.23 -40.65 5.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.892 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' VAL . . . 100.99 4.65 54.16 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.735 HG21 HG22 ' A' ' 51' ' ' THR . 16.2 m -40.69 149.22 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 0.748 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.406 ' O ' ' CG ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -99.29 104.64 16.57 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.572 1.17 . . . . 0.0 109.249 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.859 HD11 ' CG1' ' A' ' 77' ' ' ILE . 20.0 mt -152.33 72.73 7.63 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 169.84 21.73 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.453 1.765 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.62 -40.87 76.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.257 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -50.71 -21.79 1.78 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.588 ' CG ' ' CE2' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -113.19 -33.77 5.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.683 HD13 ' O ' ' A' ' 64' ' ' LEU . 0.7 OUTLIER -58.34 -17.47 20.27 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.467 1.105 . . . . 0.0 109.305 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.11 -37.73 61.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -76.6 -46.61 11.37 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.511 1.132 . . . . 0.0 111.048 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.914 ' HB3' HG22 ' A' ' 73' ' ' VAL . 20.7 mt -40.1 123.59 1.7 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 0.757 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.78 -39.72 3.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.256 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.84 HG22 ' HA ' ' A' ' 32' ' ' SER . 59.6 p -136.49 168.62 19.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.462 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.903 ' O ' HG23 ' A' ' 74' ' ' VAL . 13.9 t -49.4 -47.71 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -52.67 -36.2 48.03 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.488 1.117 . . . . 0.0 111.049 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.674 ' O ' HD22 ' A' ' 67' ' ' LEU . 6.6 t0 -81.6 -32.15 32.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.914 HG22 ' HB3' ' A' ' 67' ' ' LEU . 23.7 t -77.63 -14.0 14.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 1.055 HG13 ' CD1' ' A' ' 8' ' ' ILE . 83.7 t -95.62 -53.03 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.815 ' HB1' ' HG3' ' A' ' 79' ' ' LYS . . . -48.71 -58.34 4.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.892 ' CD2' HD21 ' A' ' 67' ' ' LEU . 1.6 m-85 -40.97 -29.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.859 ' CG1' HD11 ' A' ' 59' ' ' ILE . 14.6 mt -76.08 -78.21 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 79' ' ' LYS . 39.6 mt-30 -53.49 -52.98 57.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.336 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.815 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.4 t . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.466 ' CD ' HD11 ' A' ' 9' ' ' ILE . 0.8 OUTLIER -57.27 -65.09 0.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.342 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.799 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -51.5 -19.25 1.35 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -42.34 57.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.552 1.158 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 1.08 HG21 HG22 ' A' ' 74' ' ' VAL . 3.7 mt -95.51 -3.42 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.614 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.4 mt -107.19 -40.93 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.799 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -93.96 -35.95 12.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.09 -41.82 86.03 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.536 1.147 . . . . 0.0 111.049 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.0 OUTLIER -78.6 -52.99 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.55 0.794 . . . . 0.0 109.245 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.614 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -41.6 -49.41 4.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -59.11 -40.29 84.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.46 ' N ' ' O ' ' A' ' 12' ' ' ILE . 16.2 mt -66.48 -46.69 85.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.576 1.173 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.492 HD13 HD21 ' A' ' 37' ' ' LEU . 22.4 mt -55.35 -32.35 29.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 22' ' ' ILE . 1.1 tm-20 -75.42 2.2 12.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -109.37 -37.79 5.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.592 1.182 . . . . 0.0 110.316 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.745 HG12 ' OG ' ' A' ' 43' ' ' SER . 2.7 t -86.97 -58.03 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.496 HG22 ' CB ' ' A' ' 43' ' ' SER . 29.9 p -84.52 -27.35 27.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 110.372 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.14 28.47 58.28 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.447 1.092 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.491 HG22 ' N ' ' A' ' 23' ' ' GLU . 33.7 mt -90.57 166.23 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.491 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.6 OUTLIER -65.78 149.96 96.86 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.435 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 18.4 Cg_endo -75.02 -50.24 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.487 1.783 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.48 -26.53 68.76 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 110.037 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -60.86 -41.17 95.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.494 HG13 ' CE ' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -61.77 134.08 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.9 p -139.57 163.5 44.74 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.393 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 1.26 7.93 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.461 1.769 . . . . 0.0 110.948 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.05 7.01 46.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 1.174 . . . . 0.0 110.336 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.893 ' HZ3' HD21 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -59.73 172.33 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.245 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.561 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -134.6 15.31 3.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.966 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.561 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.3 t80 79.14 -37.31 0.18 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.125 . . . . 0.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.563 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.2 t -136.56 -56.75 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.363 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.563 ' N ' HG12 ' A' ' 34' ' ' VAL . 8.8 t70 -38.04 -31.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -104.01 -65.2 1.04 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.893 HD21 ' HZ3' ' A' ' 31' ' ' LYS . 64.1 mt -44.97 -55.31 5.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.364 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER 68.05 12.33 8.75 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.447 1.092 . . . . 0.0 109.348 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.724 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -95.88 -15.53 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.165 . . . . 0.0 109.249 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.59 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 6.4 t70 89.76 -171.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.4 p -89.56 -0.34 57.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.98 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.47 -71.4 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.745 ' OG ' HG12 ' A' ' 19' ' ' VAL . 9.8 t -60.7 -46.26 91.07 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 0.0 109.973 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.478 ' HG2' HD13 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -47.27 -34.08 6.25 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -60.16 -37.49 73.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.582 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -70.44 -55.04 9.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.52 HG13 HG21 ' A' ' 19' ' ' VAL . 4.5 mt -42.14 -40.29 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.429 ' HB1' ' OE2' ' A' ' 52' ' ' GLU . . . -75.08 -50.32 16.82 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.574 1.171 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.582 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -46.54 -27.33 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.242 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 54' ' ' LYS . 44.3 mt-30 -88.54 -60.01 2.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.3 m -52.09 -36.83 52.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.369 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.429 ' OE2' ' HB1' ' A' ' 48' ' ' ALA . 40.6 mt-10 -74.95 -4.18 36.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.261 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.9 -61.66 1.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 50' ' ' GLN . 6.1 mtpt -43.38 -41.12 4.01 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -101.0 -44.23 5.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.0 40.69 3.71 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.486 1.117 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.5 m -93.48 151.15 3.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.506 0.769 . . . . 0.0 109.225 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.13 118.15 34.08 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.534 HD11 ' CD1' ' A' ' 77' ' ' ILE . 9.1 mt -148.83 64.98 8.01 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.408 ' HD3' ' N ' ' A' ' 59' ' ' ILE . 18.3 Cg_endo -74.98 174.27 13.07 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.47 1.774 . . . . 0.0 111.02 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.407 ' C ' ' N ' ' A' ' 63' ' ' ASP . 0.3 OUTLIER -53.35 -39.58 64.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.265 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -41.88 -26.99 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.713 ' CB ' ' CE2' ' A' ' 76' ' ' TYR . 0.2 OUTLIER -120.3 -44.49 2.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.501 HD23 HG22 ' A' ' 59' ' ' ILE . 0.8 OUTLIER -47.83 -25.0 1.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 63' ' ' ASP . . . -70.64 -41.29 72.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . -78.6 -44.16 11.1 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.496 1.122 . . . . 0.0 110.955 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.952 ' HB3' HG22 ' A' ' 73' ' ' VAL . 10.5 mt -39.25 124.77 1.56 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.603 0.825 . . . . 0.0 109.278 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.43 -42.27 2.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.932 ' O ' HG23 ' A' ' 73' ' ' VAL . 68.9 p -129.19 176.02 8.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.428 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 74' ' ' VAL . 4.0 t -59.11 -45.95 92.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.71 -23.13 42.94 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.502 1.126 . . . . 0.0 110.94 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.608 ' O ' HD22 ' A' ' 67' ' ' LEU . 3.6 t0 -93.86 -31.45 14.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 0.746 . . . . 0.0 109.374 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.952 HG22 ' HB3' ' A' ' 67' ' ' LEU . 16.6 t -82.93 -13.01 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 1.08 HG22 HG21 ' A' ' 8' ' ' ILE . 43.8 t -99.4 -50.23 10.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.24 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.512 ' HB1' ' HG3' ' A' ' 79' ' ' LYS . . . -44.1 -57.86 3.16 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.713 ' CE2' ' CB ' ' A' ' 63' ' ' ASP . 4.0 t80 -47.79 -24.16 0.91 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.534 ' CD1' HD11 ' A' ' 59' ' ' ILE . 1.8 mt -83.42 -75.89 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.405 ' O ' ' C ' ' A' ' 79' ' ' LYS . 57.5 mt-30 -52.08 -53.56 40.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.279 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.512 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 8.5 mmmt . . . . . 0 C--N 1.323 -0.552 0 O-C-N 124.481 1.113 . . . . 0.0 109.234 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.419 HG23 ' N ' ' A' ' 5' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.445 -0.206 . . . . 0.0 110.445 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.419 ' N ' HG23 ' A' ' 4' ' ' THR . 1.5 tp60 -48.76 -68.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.741 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -49.73 -20.86 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 5' ' ' GLN . 0.3 OUTLIER -75.47 -42.74 52.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.331 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.979 HD12 HG13 ' A' ' 74' ' ' VAL . 4.2 mt -92.49 -4.07 10.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.715 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.7 mt -105.94 -39.84 5.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.347 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.741 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -95.38 -39.8 9.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.58 -41.32 96.16 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.3 mt -78.96 -49.95 19.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.504 0.767 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.715 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -40.09 -47.26 2.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -63.66 -41.09 98.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.518 HG23 ' NE2' ' A' ' 50' ' ' GLN . 84.8 mt -63.53 -43.89 98.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.668 HD12 HG12 ' A' ' 27' ' ' ILE . 17.6 mt -58.78 -35.01 53.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.508 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 1.9 tm-20 -74.78 1.51 12.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.517 1.136 . . . . 0.0 110.253 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -108.33 -39.77 5.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.242 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.773 HG12 ' OG ' ' A' ' 43' ' ' SER . 3.2 t -85.57 -61.08 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.088 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.512 HG22 ' OG ' ' A' ' 43' ' ' SER . 39.9 p -81.46 -27.24 34.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.167 . . . . 0.0 110.388 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.04 23.17 64.23 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.509 1.13 . . . . 0.0 110.986 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.508 ' O ' ' CB ' ' A' ' 17' ' ' GLU . 35.9 mt -85.47 166.22 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.561 0.8 . . . . 0.0 109.369 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.498 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -66.38 148.38 98.58 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 110.305 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.566 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 18.3 Cg_endo -74.99 -49.73 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.444 1.76 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -24.51 67.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.985 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.409 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 7.6 tt0 -60.38 -40.57 91.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.842 ' O ' HG23 ' A' ' 28' ' ' THR . 0.7 OUTLIER -61.09 149.01 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.842 HG23 ' O ' ' A' ' 27' ' ' ILE . 0.7 OUTLIER -165.23 166.3 10.77 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.432 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 46.43 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.58 1.832 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -136.66 -25.21 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.237 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -43.71 163.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.806 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -124.56 13.86 8.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.99 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.603 ' CE1' ' SD ' ' A' ' 44' ' ' MET . 1.5 t80 80.7 -36.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.55 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -137.41 -56.41 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.55 ' N ' HG12 ' A' ' 34' ' ' VAL . 7.3 t0 -37.9 -32.13 0.06 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.428 1.08 . . . . 0.0 109.256 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -105.65 -67.65 0.91 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.524 HD12 ' O ' ' A' ' 33' ' ' PHE . 67.7 mt -40.24 -54.63 2.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.72 13.16 9.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.673 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -94.5 -16.55 7.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.573 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 1.8 t70 88.39 -171.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.432 ' O ' HG23 ' A' ' 45' ' ' VAL . 53.4 p -88.0 -0.21 56.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.089 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.21 -68.03 0.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 109.265 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.773 ' OG ' HG12 ' A' ' 19' ' ' VAL . 17.1 t -65.43 -49.46 69.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.013 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.603 ' SD ' ' CE1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -46.44 -34.21 4.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 41' ' ' SER . 0.9 OUTLIER -61.6 -35.33 66.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 109.234 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.581 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -72.11 -54.88 8.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.256 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.5 HD11 HG23 ' A' ' 20' ' ' THR . 3.3 mt -41.56 -41.58 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.998 ' HB1' ' OE2' ' A' ' 52' ' ' GLU . . . -75.02 -51.46 13.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.581 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -46.41 -25.61 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.518 ' NE2' HG23 ' A' ' 15' ' ' ILE . 40.8 mt-30 -88.93 -60.61 1.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.403 HG22 HG21 ' A' ' 57' ' ' VAL . 1.1 m -51.82 -38.34 55.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.451 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.998 ' OE2' ' HB1' ' A' ' 48' ' ' ALA . 11.5 mt-10 -74.76 -1.63 22.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 110.262 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.12 -63.63 1.39 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 50' ' ' GLN . 1.4 mttp -43.82 -40.92 4.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -105.09 -47.26 4.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.98 36.14 4.03 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.678 HG22 ' HA ' ' A' ' 52' ' ' GLU . 15.5 m -73.2 149.95 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.753 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.52 96.72 10.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.916 HD11 ' CD1' ' A' ' 77' ' ' ILE . 31.3 mt -143.42 71.14 17.82 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.235 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 168.75 24.15 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.533 1.807 . . . . 0.0 111.023 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.9 -41.13 70.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -51.32 -20.74 1.82 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.6 ' CG ' ' CE2' ' A' ' 76' ' ' TYR . 1.0 OUTLIER -113.6 -34.86 5.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.343 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.64 HD13 ' O ' ' A' ' 64' ' ' LEU . 0.7 OUTLIER -60.36 -15.74 28.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.344 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.76 -39.07 45.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -76.35 -48.78 8.94 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.568 1.168 . . . . 0.0 111.074 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.999 HD21 ' CD2' ' A' ' 76' ' ' TYR . 43.2 mt -39.72 128.17 2.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 0.792 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.86 -41.79 2.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.806 HG22 ' HA ' ' A' ' 32' ' ' SER . 77.6 p -132.95 161.52 34.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 110.363 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.704 ' O ' HG23 ' A' ' 74' ' ' VAL . 22.7 t -45.13 -47.98 3.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -50.9 -35.5 32.09 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.5 1.125 . . . . 0.0 110.923 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.616 ' O ' HD22 ' A' ' 67' ' ' LEU . 8.0 t0 -83.27 -34.93 25.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 0.754 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.93 HG22 ' HB3' ' A' ' 67' ' ' LEU . 23.8 t -73.12 -13.57 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.979 HG13 HD12 ' A' ' 8' ' ' ILE . 78.1 t -95.56 -59.28 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.583 1.177 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.59 ' HB1' ' HG3' ' A' ' 79' ' ' LYS . . . -43.8 -55.19 4.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.312 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.999 ' CD2' HD21 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -43.79 -26.65 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 111.021 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.916 ' CD1' HD11 ' A' ' 59' ' ' ILE . 2.4 mt -86.8 -76.35 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -46.67 -52.5 13.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 110.355 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.59 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 1.8 mmmp? . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.472 ' N ' ' HB2' ' A' ' 7' ' ' GLU . 4.4 t . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.413 -0.217 . . . . 0.0 110.413 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.449 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 4.4 tp60 -54.11 -67.06 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.759 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -51.59 -19.7 1.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.472 ' HB2' ' N ' ' A' ' 4' ' ' THR . 1.1 mm-40 -75.06 -43.01 55.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.349 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 1.062 ' CD1' HG13 ' A' ' 74' ' ' VAL . 4.8 mt -94.06 -4.07 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 109.214 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.614 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.7 mt -105.55 -41.52 6.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.382 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.759 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -93.55 -36.54 12.36 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.44 1.087 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.64 -42.58 79.81 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.386 1.054 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.0 OUTLIER -76.61 -53.27 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.557 0.798 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.614 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -40.45 -48.17 2.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.357 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -59.06 -43.03 91.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.472 ' N ' ' O ' ' A' ' 12' ' ' ILE . 59.7 mt -66.31 -45.96 88.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.519 HD12 ' CG1' ' A' ' 27' ' ' ILE . 39.8 mt -53.93 -30.95 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 22' ' ' ILE . 2.9 tm-20 -77.99 4.05 13.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.152 . . . . 0.0 110.276 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -109.91 -42.78 4.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 0.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.716 HG12 ' OG ' ' A' ' 43' ' ' SER . 3.5 t -80.43 -60.64 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.619 HG22 ' OG ' ' A' ' 43' ' ' SER . 32.3 p -82.03 -29.12 32.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.342 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.63 20.33 64.09 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.506 ' O ' ' CG ' ' A' ' 17' ' ' GLU . 50.8 mt -82.39 165.87 2.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.521 0.777 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.495 ' N ' HG22 ' A' ' 22' ' ' ILE . 3.8 mt-10 -67.74 148.8 98.49 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.241 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.466 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 18.5 Cg_endo -75.07 -50.17 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.484 1.781 . . . . 0.0 111.034 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.91 -25.37 66.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.001 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -63.84 -44.01 94.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.581 1.176 . . . . 0.0 110.355 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.519 ' CG1' HD12 ' A' ' 16' ' ' ILE . 0.8 OUTLIER -60.82 124.26 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.409 1.068 . . . . 0.0 109.315 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.452 ' C ' ' H ' ' A' ' 30' ' ' GLU . 1.1 p -137.92 165.78 31.11 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.358 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.436 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 18.3 Cg_endo -75.0 40.71 0.68 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.56 1.821 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.452 ' H ' ' C ' ' A' ' 28' ' ' THR . 1.8 mm-40 -137.58 6.78 2.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.43 ' O ' HG22 ' A' ' 69' ' ' THR . 1.5 mttt -68.09 169.05 10.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.741 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -129.06 11.59 6.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 109.948 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.567 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.4 t80 80.13 -35.78 0.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.551 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -137.33 -56.59 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.551 ' N ' HG12 ' A' ' 34' ' ' VAL . 19.1 t0 -38.34 -31.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -105.66 -67.86 0.9 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.4 HD11 ' CE ' ' A' ' 44' ' ' MET . 43.9 mt -41.55 -55.39 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 68.31 14.25 9.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.127 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.708 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -95.08 -18.91 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.582 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 5.3 t70 89.8 -172.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.26 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.4 p -85.78 3.35 41.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.969 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -68.41 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.716 ' OG ' HG12 ' A' ' 19' ' ' VAL . 25.7 t -66.08 -49.67 66.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.904 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.4 ' CE ' HD11 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -47.07 -30.16 2.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.949 -179.924 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -65.35 -35.99 76.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.466 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.3 OUTLIER -72.02 -56.01 6.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.259 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.533 HG13 HG21 ' A' ' 19' ' ' VAL . 2.7 mt -39.57 -43.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.811 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -72.95 -49.33 29.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.41 1.069 . . . . 0.0 109.345 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.466 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -48.23 -25.25 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 54' ' ' LYS . 40.7 mt-30 -89.98 -60.51 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.644 HG22 HG21 ' A' ' 57' ' ' VAL . 1.2 m -51.97 -37.76 54.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.358 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.811 ' OE1' ' HB1' ' A' ' 48' ' ' ALA . 16.8 mt-10 -75.7 -1.17 23.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.442 1.089 . . . . 0.0 110.365 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.89 -62.38 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 50' ' ' GLN . 47.1 mttt -44.06 -41.14 5.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.402 ' HH ' ' CD ' ' A' ' 7' ' ' GLU . 0.7 OUTLIER -106.48 -48.48 3.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 110.961 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 107.56 17.35 11.38 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.517 1.135 . . . . 0.0 110.955 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.644 HG21 HG22 ' A' ' 51' ' ' THR . 20.5 m -54.17 149.52 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 0.786 . . . . 0.0 109.263 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -94.42 100.65 12.62 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.712 ' O ' HG22 ' A' ' 59' ' ' ILE . 37.8 mt -149.37 64.43 7.26 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.414 ' HD3' ' N ' ' A' ' 59' ' ' ILE . 18.6 Cg_endo -74.96 169.22 23.09 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.527 1.803 . . . . 0.0 111.087 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.55 -42.04 32.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -51.73 -20.95 2.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.26 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.59 ' CG ' ' CE2' ' A' ' 76' ' ' TYR . 0.7 OUTLIER -113.8 -34.18 5.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.424 1.077 . . . . 0.0 109.304 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.587 HD13 ' O ' ' A' ' 64' ' ' LEU . 0.8 OUTLIER -60.6 -15.56 29.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.01 -37.52 46.88 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -80.54 -45.75 7.76 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.446 1.091 . . . . 0.0 111.006 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.929 HD21 ' CD2' ' A' ' 76' ' ' TYR . 15.7 mt -39.94 121.34 1.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 0.765 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.41 -40.44 3.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.803 ' O ' HG23 ' A' ' 73' ' ' VAL . 69.4 p -134.42 171.97 13.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.409 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.938 ' O ' HG23 ' A' ' 74' ' ' VAL . 11.1 t -53.73 -45.67 61.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -53.78 -39.3 61.38 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.509 1.131 . . . . 0.0 111.026 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.6 ' O ' HD22 ' A' ' 67' ' ' LEU . 7.3 t0 -79.06 -30.11 43.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 0.76 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.887 HG22 ' HB3' ' A' ' 67' ' ' LEU . 46.2 t -80.13 -14.7 13.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 1.062 HG13 ' CD1' ' A' ' 8' ' ' ILE . 70.7 t -96.75 -53.72 7.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.701 ' HB1' ' HG3' ' A' ' 79' ' ' LYS . . . -48.67 -56.85 7.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.929 ' CD2' HD21 ' A' ' 67' ' ' LEU . 1.1 m-30 -41.52 -27.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.977 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.476 HG12 HD11 ' A' ' 59' ' ' ILE . 2.9 mt -81.28 -78.12 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -50.72 -51.06 53.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.344 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.701 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 1.3 mmmp? . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.566 HG22 ' OE1' ' A' ' 7' ' ' GLU . 1.3 t . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.462 ' N ' HG23 ' A' ' 4' ' ' THR . 4.3 tp60 -54.31 -66.77 0.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.747 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -51.3 -19.84 1.44 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.566 ' OE1' HG22 ' A' ' 4' ' ' THR . 0.6 OUTLIER -74.41 -42.57 58.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.818 ' CD1' HG13 ' A' ' 74' ' ' VAL . 5.0 mt -94.98 -3.65 10.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.602 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.8 mt -105.96 -41.54 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.747 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -93.81 -36.36 12.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.242 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.87 -42.41 78.71 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.439 1.087 . . . . 0.0 110.978 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 15' ' ' ILE . 0.8 OUTLIER -76.91 -53.5 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 0.755 . . . . 0.0 109.229 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.602 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -41.07 -47.68 3.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -58.53 -45.22 89.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.252 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.427 ' N ' ' O ' ' A' ' 12' ' ' ILE . 54.8 mt -65.32 -45.26 93.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 109.221 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.538 HD12 HG12 ' A' ' 27' ' ' ILE . 22.3 mt -53.12 -33.54 20.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.503 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 22.3 tt0 -75.54 1.81 13.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -105.79 -49.39 3.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.885 HG12 ' OG ' ' A' ' 43' ' ' SER . 2.9 t -76.96 -67.4 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.69 HG22 ' HB3' ' A' ' 43' ' ' SER . 43.2 p -73.63 -32.86 64.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.23 24.03 49.31 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.45 1.094 . . . . 0.0 111.02 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.503 ' O ' ' CB ' ' A' ' 17' ' ' GLU . 38.5 mt -82.43 166.04 2.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 0.764 . . . . 0.0 109.272 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.497 ' N ' HG22 ' A' ' 22' ' ' ILE . 1.2 mt-10 -69.41 153.42 95.84 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.417 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 18.3 Cg_endo -75.02 -49.88 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.441 1.758 . . . . 0.0 110.943 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.02 -21.79 65.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.162 . . . . 0.0 110.013 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.46 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 20.3 tt0 -62.21 -45.42 93.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 110.335 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.538 HG12 HD12 ' A' ' 16' ' ' ILE . 0.7 OUTLIER -62.49 132.82 28.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.253 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.432 ' C ' ' H ' ' A' ' 30' ' ' GLU . 1.3 p -144.56 164.7 26.71 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 110.401 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.403 ' HB3' HD11 ' A' ' 9' ' ' ILE . 18.2 Cg_endo -74.98 42.7 0.87 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.491 1.785 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.432 ' H ' ' C ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -141.18 9.49 2.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.145 . . . . 0.0 110.348 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -71.38 165.97 22.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.715 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -125.89 13.4 7.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.018 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.562 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.1 t80 79.42 -33.82 0.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.564 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -138.18 -57.68 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.564 ' N ' HG12 ' A' ' 34' ' ' VAL . 10.5 t0 -37.39 -32.74 0.05 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -104.95 -66.67 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.231 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.2 mt -43.71 -54.23 5.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 109.347 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 34' ' ' VAL . 1.6 t0 65.81 15.88 10.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.685 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -97.98 -17.78 6.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.919 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.567 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 1.7 t70 88.57 -169.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.665 ' O ' HG23 ' A' ' 45' ' ' VAL . 13.7 p -90.54 0.5 57.32 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.48 1.112 . . . . 0.0 110.041 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.09 -67.97 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.885 ' OG ' HG12 ' A' ' 19' ' ' VAL . 0.7 OUTLIER -65.62 -49.09 70.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.915 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.451 ' SD ' ' CE1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -47.35 -37.48 11.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 110.981 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 41' ' ' SER . 1.7 t -57.3 -35.49 49.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.546 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -73.67 -53.55 10.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.633 HD11 HG23 ' A' ' 20' ' ' THR . 2.4 mt -40.15 -43.44 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.48 -48.57 26.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.546 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -48.3 -27.56 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 54' ' ' LYS . 45.5 mt-30 -87.98 -58.39 2.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -51.13 -39.64 56.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.39 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.486 ' HA ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -75.68 -0.28 20.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.12 -63.84 1.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 50' ' ' GLN . 9.0 mtpt -50.59 -42.69 56.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -100.3 -48.54 4.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 111.007 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.23 29.53 6.71 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.432 1.082 . . . . 0.0 111.076 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.486 HG22 ' HA ' ' A' ' 52' ' ' GLU . 2.7 m -59.09 -171.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.514 0.773 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.499 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 0.5 OUTLIER -129.88 100.09 5.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 109.26 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.779 HD11 HD11 ' A' ' 77' ' ' ILE . 21.8 mt -156.38 78.25 4.17 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 167.75 26.35 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.475 1.776 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.12 -41.02 87.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -54.34 -18.41 4.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -112.26 -33.51 6.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.231 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.728 HD13 ' O ' ' A' ' 64' ' ' LEU . 1.0 OUTLIER -54.25 -20.01 6.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.27 -29.73 48.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -79.42 -50.42 5.73 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.554 1.159 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.935 ' HB3' HG22 ' A' ' 73' ' ' VAL . 10.2 mt -38.98 126.83 1.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.792 . . . . 0.0 109.317 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.61 -40.86 2.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.755 ' O ' HG23 ' A' ' 73' ' ' VAL . 40.7 p -135.09 171.27 14.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.405 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.561 ' O ' HG23 ' A' ' 74' ' ' VAL . 9.6 t -54.59 -41.43 55.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.66 -26.92 63.14 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.404 ' O ' HD22 ' A' ' 67' ' ' LEU . 6.9 t0 -90.46 -32.87 16.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 0.767 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.935 HG22 ' HB3' ' A' ' 67' ' ' LEU . 22.1 t -77.28 -13.73 14.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.818 HG13 ' CD1' ' A' ' 8' ' ' ILE . 53.9 t -98.53 -56.58 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.519 ' HB1' ' HG3' ' A' ' 79' ' ' LYS . . . -46.09 -57.34 4.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.267 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.865 ' CD2' HD21 ' A' ' 67' ' ' LEU . 3.2 m-85 -42.07 -30.7 0.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 111.045 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.779 HD11 HD11 ' A' ' 59' ' ' ILE . 3.1 mt -84.09 -74.95 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.418 ' NE2' ' CG1' ' A' ' 74' ' ' VAL . 46.1 mt-30 -47.87 -56.85 6.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.344 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.519 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 35.3 mmtm . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.699 HG22 ' H ' ' A' ' 5' ' ' GLN . 19.5 m . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.699 ' H ' HG22 ' A' ' 4' ' ' THR . 4.7 tp60 -54.45 -67.98 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.336 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.785 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -49.79 -19.41 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.218 -179.913 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.424 ' HB2' ' N ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -74.25 -43.18 58.02 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.565 1.166 . . . . 0.0 110.356 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 1.082 ' CD1' HG13 ' A' ' 74' ' ' VAL . 6.8 mt -95.19 -3.6 10.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.15 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.491 ' CD1' ' HG3' ' A' ' 5' ' ' GLN . 2.9 mt -106.1 -40.83 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.785 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -94.2 -34.77 12.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -71.47 -39.27 61.48 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.422 HG13 ' HA ' ' A' ' 8' ' ' ILE . 0.8 OUTLIER -76.76 -53.36 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.461 0.742 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.493 ' HB1' ' O ' ' A' ' 24' ' ' PRO . . . -41.43 -46.98 3.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -58.9 -46.7 87.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.34 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.511 HG23 ' NE2' ' A' ' 50' ' ' GLN . 40.6 mt -64.23 -43.72 97.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.443 HD12 ' CG1' ' A' ' 27' ' ' ILE . 10.8 mt -53.68 -31.61 20.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.473 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 1.8 tm-20 -78.07 3.22 15.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -108.48 -45.9 3.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.443 1.089 . . . . 0.0 110.243 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.902 HG12 ' OG ' ' A' ' 43' ' ' SER . 2.5 t -80.74 -67.0 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.733 HG22 ' HB3' ' A' ' 43' ' ' SER . 24.5 p -74.9 -25.39 58.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.397 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.19 23.9 70.1 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.555 1.159 . . . . 0.0 111.014 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.522 HG22 ' N ' ' A' ' 23' ' ' GLU . 59.0 mt -83.75 166.92 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 0.782 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.522 ' N ' HG22 ' A' ' 22' ' ' ILE . 2.9 mt-10 -69.39 150.7 97.03 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.493 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 18.4 Cg_endo -75.01 -49.68 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.02 -24.05 65.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.045 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -66.09 -48.28 71.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.338 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.462 HD11 HG21 ' A' ' 22' ' ' ILE . 0.7 OUTLIER -60.35 123.23 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.418 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 0.1 OUTLIER -133.22 170.32 11.69 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.39 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.459 ' HB3' HD11 ' A' ' 9' ' ' ILE . 18.3 Cg_endo -74.94 2.07 7.0 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.552 1.817 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -91.11 -9.73 44.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -56.25 164.96 1.15 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.373 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.709 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -125.69 17.7 8.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.977 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.628 ' O ' HD12 ' A' ' 37' ' ' LEU . 1.5 t80 80.27 -38.79 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.511 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.0 OUTLIER -138.53 -54.81 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.342 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.511 ' N ' HG12 ' A' ' 34' ' ' VAL . 17.3 t0 -38.16 -31.35 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.155 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.5 OUTLIER -107.28 -66.47 1.02 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.628 HD12 ' O ' ' A' ' 33' ' ' PHE . 78.0 mt -39.81 -55.01 2.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.289 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 68.11 10.9 8.11 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.567 1.167 . . . . 0.0 109.319 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.607 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -91.37 -19.53 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.226 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.59 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 2.0 t70 89.26 -171.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.348 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 95.1 p -89.77 3.84 51.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.035 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.25 -70.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.902 ' OG ' HG12 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -64.89 -43.33 93.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.028 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.488 ' SD ' ' CD1' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -52.36 -31.08 31.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 111.047 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.2 t -61.88 -38.67 81.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.593 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.2 OUTLIER -70.84 -55.44 8.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.289 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.708 HD11 HG23 ' A' ' 20' ' ' THR . 3.4 mt -39.27 -42.47 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.351 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.404 ' C ' ' N ' ' A' ' 50' ' ' GLN . . . -75.87 -46.73 28.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.593 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -48.31 -24.71 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.511 ' NE2' HG23 ' A' ' 15' ' ' ILE . 47.2 mt-30 -90.08 -60.47 1.92 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.264 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -51.3 -39.27 56.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.417 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.62 ' HA ' HG22 ' A' ' 57' ' ' VAL . 20.8 mt-10 -74.41 -1.7 22.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.39 -61.51 1.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.414 1.071 . . . . 0.0 109.315 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' GLN . 1.4 mtpp -43.74 -42.46 5.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -104.93 -50.48 3.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 105.0 39.27 2.34 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.62 HG22 ' HA ' ' A' ' 52' ' ' GLU . 3.7 m -73.45 151.3 7.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.517 0.775 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.97 113.54 27.15 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.469 1.106 . . . . 0.0 109.351 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.658 HD11 HG12 ' A' ' 77' ' ' ILE . 13.5 mt -150.66 76.18 8.29 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.435 1.084 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 170.0 21.38 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.502 1.791 . . . . 0.0 111.055 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.91 -40.16 79.7 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -46.55 -23.91 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.491 ' OD1' ' CD2' ' A' ' 76' ' ' TYR . 0.4 OUTLIER -113.67 -37.18 4.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.286 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.634 HD13 ' O ' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -55.51 -19.43 9.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.53 -40.34 76.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -80.56 -45.48 7.9 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.489 1.118 . . . . 0.0 110.941 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.912 ' HB3' HG22 ' A' ' 73' ' ' VAL . 14.8 mt -38.98 115.66 0.5 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.42 0.717 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.98 -37.84 4.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 110.355 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.821 ' O ' HG23 ' A' ' 73' ' ' VAL . 42.4 p -132.48 170.69 14.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.379 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.552 HG12 ' CG2' ' A' ' 74' ' ' VAL . 4.7 t -56.12 -55.41 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -43.03 -32.15 1.43 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.54 1.15 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.573 ' OD1' ' CE1' ' A' ' 76' ' ' TYR . 6.3 t0 -87.49 -37.27 17.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 0.749 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.912 HG22 ' HB3' ' A' ' 67' ' ' LEU . 39.7 t -74.68 -12.16 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 1.082 HG13 ' CD1' ' A' ' 8' ' ' ILE . 78.3 t -98.12 -58.23 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.584 ' HB1' ' CG ' ' A' ' 79' ' ' LYS . . . -49.52 -56.14 10.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.817 ' CD2' HD21 ' A' ' 67' ' ' LEU . 2.5 m-85 -41.41 -26.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 111.044 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.658 HG12 HD11 ' A' ' 59' ' ' ILE . 3.1 mt -75.21 -65.5 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.453 ' O ' ' C ' ' A' ' 79' ' ' LYS . 24.6 mt-30 -83.41 -62.66 1.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.584 ' CG ' ' HB1' ' A' ' 75' ' ' ALA . 15.5 mmtm . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.316 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.616 HG22 ' CD ' ' A' ' 7' ' ' GLU . 6.6 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.414 -0.217 . . . . 0.0 110.414 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.454 ' N ' ' OG1' ' A' ' 4' ' ' THR . 2.4 tp60 -57.92 -65.17 0.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.751 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -51.52 -19.01 1.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.587 1.179 . . . . 0.0 110.251 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.616 ' CD ' HG22 ' A' ' 4' ' ' THR . 0.0 OUTLIER -75.32 -45.03 42.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 110.322 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 1.092 HD12 HG13 ' A' ' 74' ' ' VAL . 4.1 mt -91.77 -3.57 10.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.373 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.595 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.7 mt -105.36 -42.15 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.395 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.751 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -93.32 -36.44 12.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.36 -41.94 83.92 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.458 1.099 . . . . 0.0 110.94 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.447 HD11 HG21 ' A' ' 51' ' ' THR . 1.0 OUTLIER -77.58 -53.46 14.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.509 0.77 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.595 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -41.5 -49.96 3.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -57.37 -43.17 83.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 12' ' ' ILE . 98.9 mt -66.4 -47.75 83.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.68 HD12 ' CG1' ' A' ' 27' ' ' ILE . 21.8 mt -53.33 -34.12 22.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.227 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.479 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 0.1 OUTLIER -76.44 3.67 10.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -110.79 -47.4 3.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.733 HG12 ' OG ' ' A' ' 43' ' ' SER . 3.3 t -76.28 -64.21 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.575 HG22 ' OG ' ' A' ' 43' ' ' SER . 45.8 p -79.17 -30.76 43.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 110.345 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.59 23.56 53.14 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.513 1.133 . . . . 0.0 111.063 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.483 HG22 ' N ' ' A' ' 23' ' ' GLU . 41.6 mt -82.73 165.56 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.453 0.737 . . . . 0.0 109.281 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.483 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -66.27 152.37 94.35 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.444 1.09 . . . . 0.0 110.209 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.475 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 18.2 Cg_endo -75.0 -54.51 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.494 1.786 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.26 -23.56 67.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.469 1.106 . . . . 0.0 109.928 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.447 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 17.6 tt0 -61.39 -44.23 97.51 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.559 1.162 . . . . 0.0 110.342 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.894 ' O ' HG23 ' A' ' 28' ' ' THR . 0.7 OUTLIER -59.66 143.91 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.894 HG23 ' O ' ' A' ' 27' ' ' ILE . 0.2 OUTLIER -170.21 168.82 4.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 110.392 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.413 ' HD2' ' HB ' ' A' ' 28' ' ' THR . 18.5 Cg_endo -74.99 49.01 2.14 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.55 1.816 . . . . 0.0 111.075 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -132.21 -29.41 1.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.33 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.901 ' NZ ' HD23 ' A' ' 37' ' ' LEU . 10.1 mmtt -49.58 167.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.369 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.557 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -129.31 23.33 5.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.028 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.817 ' CZ ' HD11 ' A' ' 64' ' ' LEU . 0.4 OUTLIER 78.97 -39.29 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.491 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.0 OUTLIER -140.06 -54.31 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.491 ' N ' HG12 ' A' ' 34' ' ' VAL . 6.2 t70 -37.87 -31.54 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -106.73 -66.0 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.901 HD23 ' NZ ' ' A' ' 31' ' ' LYS . 79.1 mt -41.99 -56.39 2.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.03 14.2 8.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.352 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.658 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -95.44 -16.51 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.264 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.601 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 7.7 t0 89.83 -172.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 109.348 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.5 p -90.47 3.45 53.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.005 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.56 -69.52 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.733 ' OG ' HG12 ' A' ' 19' ' ' VAL . 42.9 t -62.23 -53.88 48.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.945 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.792 ' HE1' ' CD2' ' A' ' 33' ' ' PHE . 4.3 mtm -42.64 -37.36 1.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.1 t -55.09 -40.0 52.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.57 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.4 OUTLIER -69.45 -53.88 17.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.255 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.547 HD11 HG23 ' A' ' 20' ' ' THR . 3.5 mt -41.27 -41.69 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.79 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -77.49 -47.72 18.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.57 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -47.8 -24.59 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 54' ' ' LYS . 46.6 mt-30 -91.78 -60.94 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.274 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.447 HG21 HD11 ' A' ' 12' ' ' ILE . 2.8 m -52.52 -34.83 51.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 110.391 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.79 ' OE1' ' HB1' ' A' ' 48' ' ' ALA . 8.3 mt-10 -78.88 -1.97 37.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.43 -62.0 1.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 50' ' ' GLN . 19.2 mtmt -43.63 -41.75 4.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.439 ' OH ' ' CG ' ' A' ' 7' ' ' GLU . 1.3 m-85 -103.13 -47.13 4.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.56 1.163 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 101.56 33.11 4.9 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.526 1.141 . . . . 0.0 111.035 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.745 HG22 ' HA ' ' A' ' 52' ' ' GLU . 21.7 m -72.11 148.89 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 0.78 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.437 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -102.33 117.44 34.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 109.326 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.697 HG22 HD23 ' A' ' 64' ' ' LEU . 36.1 mt -154.29 74.67 6.04 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 172.42 16.4 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.57 1.826 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.407 ' HA ' ' HB3' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -56.92 -39.31 74.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.35 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -43.21 -26.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.266 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.689 ' CB ' ' CE2' ' A' ' 76' ' ' TYR . 0.1 OUTLIER -115.52 -39.42 3.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.817 HD11 ' CZ ' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -52.12 -21.78 3.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.55 -30.78 67.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -91.97 -56.89 1.55 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.589 1.18 . . . . 0.0 110.956 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.005 HD13 ' HA ' ' A' ' 73' ' ' VAL . 10.4 mt -39.11 115.71 0.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 0.756 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.14 -52.8 2.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.907 ' O ' HG23 ' A' ' 73' ' ' VAL . 70.3 p -107.71 163.41 13.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.404 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.855 ' O ' HG23 ' A' ' 74' ' ' VAL . 16.1 t -53.29 -41.78 44.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.01 -36.09 66.23 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.563 1.164 . . . . 0.0 111.057 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.581 ' O ' HD22 ' A' ' 67' ' ' LEU . 4.5 t0 -85.85 -31.09 22.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.747 . . . . 0.0 109.301 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 1.005 ' HA ' HD13 ' A' ' 67' ' ' LEU . 16.4 t -79.18 -12.83 13.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 1.092 HG13 HD12 ' A' ' 8' ' ' ILE . 73.8 t -97.22 -49.09 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.593 ' HB1' ' HG3' ' A' ' 79' ' ' LYS . . . -44.11 -56.59 3.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . 0.689 ' CE2' ' CB ' ' A' ' 63' ' ' ASP . 4.3 t80 -48.34 -27.06 2.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.78 HD12 HD13 ' A' ' 8' ' ' ILE . 4.9 mt -74.49 -73.16 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 79' ' ' LYS . 35.6 mt-30 -59.17 -52.57 65.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 110.344 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.593 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 6.3 mmmt . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.438 1.086 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.516 ' CB ' ' HD3' ' A' ' 2' ' ' PRO . 2.4 mtt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.553 0.216 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.516 ' HD3' ' CB ' ' A' ' 1' ' ' MET . 18.5 Cg_endo -75.0 175.8 10.76 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.425 1.75 . . . . 0.0 111.01 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.58 ' O ' HG13 ' A' ' 3' ' ' VAL . 11.2 p -67.09 104.83 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.3 t -94.3 -172.35 2.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.368 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.424 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 2.5 tp60 -62.45 -62.93 1.41 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 110.283 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.794 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -51.94 -18.2 1.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.337 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.403 ' O ' ' HA3' ' A' ' 11' ' ' GLY . 0.1 OUTLIER -76.27 -47.42 23.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.266 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 1.093 HD12 HG13 ' A' ' 74' ' ' VAL . 5.8 mt -88.72 -3.96 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.623 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.8 mt -105.36 -42.23 6.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.112 . . . . 0.0 109.269 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.794 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -93.41 -38.99 11.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 7' ' ' GLU . . . -65.69 -41.56 95.81 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.554 HD11 HG21 ' A' ' 51' ' ' THR . 0.9 OUTLIER -77.89 -51.79 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.623 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -42.46 -46.96 4.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -59.14 -47.04 86.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.524 HG23 ' NE2' ' A' ' 50' ' ' GLN . 74.8 mt -62.4 -42.14 94.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.505 HD12 ' CG1' ' A' ' 27' ' ' ILE . 6.3 mt -55.36 -33.67 32.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.464 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 4.2 tm-20 -74.98 1.29 13.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.59 -43.97 4.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.802 HG12 ' OG ' ' A' ' 43' ' ' SER . 2.6 t -84.45 -65.56 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.25 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.71 HG23 HD11 ' A' ' 47' ' ' ILE . 41.7 p -76.83 -20.4 56.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 70.61 21.8 77.82 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.502 1.126 . . . . 0.0 111.047 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.5 HG22 ' N ' ' A' ' 23' ' ' GLU . 55.5 mt -81.01 165.35 2.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 109.342 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.5 ' N ' HG22 ' A' ' 22' ' ' ILE . 3.4 mt-10 -69.57 154.05 95.16 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.259 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.432 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 18.3 Cg_endo -75.01 -49.91 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.498 1.788 . . . . 0.0 110.951 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.68 -24.05 64.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.972 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.436 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 13.9 tt0 -63.7 -46.15 86.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.328 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.546 HD12 ' HZ3' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -61.76 132.32 27.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.409 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 0.6 OUTLIER -137.62 167.34 20.89 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 110.366 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.472 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 18.3 Cg_endo -75.01 1.86 7.28 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.781 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.08 2.18 53.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.546 ' HZ3' HD12 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -61.08 167.94 2.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.795 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -128.53 12.33 6.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.972 -179.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.566 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.3 t80 79.91 -36.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 111.022 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.55 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -136.89 -56.59 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.55 ' N ' HG12 ' A' ' 34' ' ' VAL . 17.3 t0 -38.3 -31.34 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -105.69 -67.98 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.407 HD12 ' SD ' ' A' ' 44' ' ' MET . 47.3 mt -41.82 -55.3 3.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.257 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 68.7 12.05 8.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.607 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -91.76 -17.63 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.573 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 6.2 t70 88.0 -170.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.678 ' O ' HG23 ' A' ' 45' ' ' VAL . 14.0 p -87.51 -0.18 56.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.47 -67.86 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.802 ' OG ' HG12 ' A' ' 19' ' ' VAL . 6.6 t -65.52 -48.83 71.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.024 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.52 ' SD ' ' CD1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -47.22 -35.48 7.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 111.003 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 41' ' ' SER . 2.0 t -60.88 -33.4 55.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.273 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.634 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -74.43 -54.14 8.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.334 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.71 HD11 HG23 ' A' ' 20' ' ' THR . 3.5 mt -43.51 -38.45 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.892 ' HB1' ' OE2' ' A' ' 52' ' ' GLU . . . -73.77 -48.38 32.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.634 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -48.61 -25.96 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.524 ' NE2' HG23 ' A' ' 15' ' ' ILE . 50.7 mt-30 -89.04 -59.78 2.13 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.125 . . . . 0.0 110.306 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.554 HG21 HD11 ' A' ' 12' ' ' ILE . 3.0 m -51.47 -38.98 56.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.415 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.892 ' OE2' ' HB1' ' A' ' 48' ' ' ALA . 1.5 mt-10 -74.82 -2.12 25.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.336 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.23 -60.76 1.82 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 50' ' ' GLN . 11.6 mttt -40.85 -42.33 1.79 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.451 ' CD1' ' CG1' ' A' ' 57' ' ' VAL . 44.8 t80 -106.86 -53.16 2.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 0.0 111.043 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 111.38 26.13 4.69 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.488 1.118 . . . . 0.0 110.974 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.534 HG22 ' HA ' ' A' ' 52' ' ' GLU . 9.7 m -64.5 158.03 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.527 0.78 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.481 ' HD2' HD12 ' A' ' 80' ' ' LEU . 0.0 OUTLIER -100.42 104.08 15.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.747 ' O ' HG22 ' A' ' 59' ' ' ILE . 41.1 mt -148.53 65.93 8.8 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 169.67 22.11 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.428 1.751 . . . . 0.0 110.971 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.23 -42.01 39.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -51.74 -20.77 2.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.282 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.604 ' CG ' ' CE2' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -113.64 -34.15 5.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.265 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.677 HD13 ' O ' ' A' ' 64' ' ' LEU . 0.7 OUTLIER -60.94 -15.37 30.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.13 -38.22 36.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -78.95 -46.98 7.96 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 0.0 111.013 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.908 ' HB3' HG22 ' A' ' 73' ' ' VAL . 19.0 mt -39.75 115.41 0.52 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 0.76 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.96 -40.18 5.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.324 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.894 ' O ' HG23 ' A' ' 73' ' ' VAL . 35.8 p -134.01 175.5 9.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.41 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.634 ' O ' HG23 ' A' ' 74' ' ' VAL . 5.7 t -57.33 -49.4 80.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -49.95 -37.03 28.34 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.501 1.125 . . . . 0.0 110.986 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.566 ' C ' HD22 ' A' ' 67' ' ' LEU . 2.2 t70 -80.56 -35.56 34.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 0.788 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.908 HG22 ' HB3' ' A' ' 67' ' ' LEU . 48.2 t -72.18 -15.87 18.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 1.093 HG13 HD12 ' A' ' 8' ' ' ILE . 80.0 t -94.55 -55.72 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 109.34 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.635 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -46.0 -55.28 7.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.844 ' CG ' HD21 ' A' ' 67' ' ' LEU . 1.8 m-30 -42.3 -27.36 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 111.002 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.517 ' CG1' HD11 ' A' ' 59' ' ' ILE . 2.7 mt -85.29 -75.92 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 81' ' ' GLU . 43.7 mt-30 -48.91 -54.31 15.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.59 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 23.3 mmtm -44.41 -45.78 9.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.481 HD12 ' HD2' ' A' ' 58' ' ' LYS . 0.2 OUTLIER -54.53 -40.06 68.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.462 ' O ' ' CB ' ' A' ' 82' ' ' GLU . 5.4 mm-40 -83.35 -88.34 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.462 ' CB ' ' O ' ' A' ' 81' ' ' GLU . 0.9 OUTLIER 163.94 92.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.289 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -130.59 -75.74 0.53 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 110.344 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.466 ' O ' ' NZ ' ' A' ' 79' ' ' LYS . 2.7 t30 -114.99 89.83 21.03 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 53.14 3.23 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.516 1.798 . . . . 0.0 111.028 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.758 ' O ' HD12 ' A' ' 95' ' ' ILE . 13.8 tt0 -122.37 -59.58 1.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.276 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.811 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . . . -171.0 -51.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.7 ' HB2' ' O ' ' A' ' 87' ' ' ALA . . . 162.56 -171.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.681 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 14.5 mt-30 -97.63 85.87 3.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.265 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.681 ' HB2' ' O ' ' A' ' 89' ' ' GLN . . . 162.87 -47.71 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.913 HD13 ' O ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -39.98 137.33 0.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.676 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 0.0 OUTLIER -164.15 56.85 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.676 ' HB2' ' O ' ' A' ' 92' ' ' ARG . . . 163.8 73.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 67.45 140.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.758 HD12 ' O ' ' A' ' 86' ' ' GLU . 29.2 mm -58.01 -82.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.59 -47.65 1.34 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.146 . . . . 0.0 110.248 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.99 56.75 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.01 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -72.45 150.13 43.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.274 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -168.96 84.9 0.66 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 69.54 5.52 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.457 1.767 . . . . 0.0 110.992 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.629 ' O ' ' HB3' ' A' ' 102' ' ' ALA . 1.4 t0 -157.74 -58.29 0.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' A' ' 101' ' ' ASP . . . 80.39 42.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.454 HG12 ' N ' ' A' ' 104' ' ' ALA . 21.1 t -44.59 165.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.454 ' N ' HG12 ' A' ' 103' ' ' VAL . . . -177.19 56.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.3 t30 175.6 -156.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 1.4 t -122.05 168.56 14.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.582 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.0 OUTLIER -131.73 -154.95 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 107' ' ' GLN . . . 76.42 24.35 1.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.09 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.37 19.17 12.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.328 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.01 164.94 11.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -128.17 -148.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.342 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -164.1 174.71 10.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -109.93 -59.31 1.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.267 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.51 146.27 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 110.001 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.477 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 2.8 ttm . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.561 0.22 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.3 Cg_endo -74.9 -34.29 4.06 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.462 1.769 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.602 HG22 HD11 ' A' ' 8' ' ' ILE . 8.9 p 42.89 41.39 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.627 HG22 ' H ' ' A' ' 5' ' ' GLN . 32.8 m -74.8 178.74 5.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.314 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.627 ' H ' HG22 ' A' ' 4' ' ' THR . 4.6 tp60 -48.96 -69.16 0.13 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.468 1.105 . . . . 0.0 110.364 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.733 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -50.39 -21.08 1.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.491 ' HB2' ' N ' ' A' ' 4' ' ' THR . 0.6 OUTLIER -74.29 -43.48 56.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 1.045 ' CD1' HG13 ' A' ' 74' ' ' VAL . 4.1 mt -92.9 -4.13 10.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.144 . . . . 0.0 109.344 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.605 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.8 mt -105.06 -41.59 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.733 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -92.76 -35.99 13.13 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 109.223 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.34 -42.74 73.37 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.474 1.109 . . . . 0.0 110.952 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.0 OUTLIER -76.17 -53.53 15.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 0.791 . . . . 0.0 109.24 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -40.46 -46.97 2.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -59.64 -43.64 93.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.326 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.473 ' N ' ' O ' ' A' ' 12' ' ' ILE . 32.4 mt -64.84 -44.55 96.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.436 1.085 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.561 HD12 HG12 ' A' ' 27' ' ' ILE . 26.1 mt -53.82 -32.33 21.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.517 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 0.3 OUTLIER -76.77 3.19 12.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.321 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.11 -45.25 3.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.266 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.768 HG12 ' OG ' ' A' ' 43' ' ' SER . 2.8 t -79.02 -62.69 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.409 1.068 . . . . 0.0 109.304 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.471 HG22 ' OG ' ' A' ' 43' ' ' SER . 36.7 p -80.34 -30.99 38.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 110.423 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.1 24.53 51.88 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.452 1.095 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.517 ' O ' ' CB ' ' A' ' 17' ' ' GLU . 33.1 mt -85.5 166.15 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.492 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -68.84 148.22 97.94 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.419 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 18.2 Cg_endo -75.08 -50.0 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.468 1.773 . . . . 0.0 110.946 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.27 -24.64 67.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.103 . . . . 0.0 110.02 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -62.57 -42.64 99.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 110.324 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.561 HG12 HD12 ' A' ' 16' ' ' ILE . 0.7 OUTLIER -61.37 130.97 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.245 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.452 ' C ' ' H ' ' A' ' 30' ' ' GLU . 0.9 OUTLIER -141.02 165.74 27.33 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.436 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.416 ' HB3' HD11 ' A' ' 9' ' ' ILE . 18.2 Cg_endo -75.05 40.35 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.452 ' H ' ' C ' ' A' ' 28' ' ' THR . 1.7 mm-40 -138.56 8.93 2.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.082 . . . . 0.0 110.314 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.413 ' NZ ' ' HB3' ' A' ' 36' ' ' ASP . 1.4 mmtt -69.6 167.92 15.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.788 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -129.09 12.31 6.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 110.035 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.635 ' HZ ' HD11 ' A' ' 64' ' ' LEU . 1.4 t80 79.62 -36.26 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 111.064 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.555 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -136.51 -56.86 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.555 ' N ' HG12 ' A' ' 34' ' ' VAL . 3.3 t70 -39.09 -30.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER -105.41 -67.31 0.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.413 1.071 . . . . 0.0 109.312 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.524 HD12 ' O ' ' A' ' 33' ' ' PHE . 78.5 mt -42.44 -54.86 3.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.2 t70 68.92 11.46 8.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.279 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.707 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -93.62 -13.73 8.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.577 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 12.5 t0 88.38 -171.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.9 p -90.8 -1.44 57.85 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.561 1.163 . . . . 0.0 109.976 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.95 -68.06 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.768 ' OG ' HG12 ' A' ' 19' ' ' VAL . 9.8 t -63.62 -47.22 82.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.992 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.458 ' SD ' ' CE2' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -48.39 -33.64 9.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 -179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -61.84 -33.94 60.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.441 1.088 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.573 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -73.5 -54.27 8.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 110.326 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.492 HG13 ' CG2' ' A' ' 19' ' ' VAL . 3.2 mt -40.41 -46.08 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.698 ' HB1' ' OE2' ' A' ' 52' ' ' GLU . . . -71.41 -46.11 61.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.573 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -48.51 -27.38 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.559 1.162 . . . . 0.0 109.247 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.449 ' HB2' HD13 ' A' ' 15' ' ' ILE . 57.7 mt-30 -87.7 -60.35 1.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.272 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.552 HG22 HG21 ' A' ' 57' ' ' VAL . 1.1 m -51.66 -38.89 56.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.354 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.795 ' HA ' HG22 ' A' ' 57' ' ' VAL . 20.1 mt-10 -73.84 -2.97 25.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.102 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.32 -63.76 1.4 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' GLN . 23.3 mttt -44.0 -40.85 5.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.527 ' HB3' HG13 ' A' ' 57' ' ' VAL . 0.9 OUTLIER -104.18 -43.47 5.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 110.977 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 102.95 7.12 44.84 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.523 1.139 . . . . 0.0 110.986 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.795 HG22 ' HA ' ' A' ' 52' ' ' GLU . 15.3 m -43.62 149.74 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.532 0.784 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.28 97.22 9.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.152 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.775 HD11 HG12 ' A' ' 77' ' ' ILE . 45.8 mt -146.78 74.62 12.25 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 169.83 21.75 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.494 1.787 . . . . 0.0 111.038 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.25 -40.51 77.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -53.37 -19.18 3.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.613 ' OD1' ' CE2' ' A' ' 76' ' ' TYR . 0.3 OUTLIER -112.39 -34.79 5.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.231 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.635 HD11 ' HZ ' ' A' ' 33' ' ' PHE . 0.8 OUTLIER -60.42 -15.48 26.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.67 -36.89 59.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.25 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -78.7 -47.31 7.96 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.509 1.131 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.904 ' HB3' HG22 ' A' ' 73' ' ' VAL . 26.8 mt -39.45 119.6 0.96 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 0.788 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.74 -37.92 4.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.258 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.788 HG22 ' HA ' ' A' ' 32' ' ' SER . 42.8 p -135.67 168.99 18.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 110.374 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.539 ' O ' HG23 ' A' ' 74' ' ' VAL . 12.4 t -52.26 -53.7 17.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -44.34 -37.71 4.81 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.48 1.112 . . . . 0.0 110.972 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.561 ' C ' HD22 ' A' ' 67' ' ' LEU . 8.4 t0 -80.64 -38.45 29.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 0.784 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.904 HG22 ' HB3' ' A' ' 67' ' ' LEU . 35.2 t -70.06 -15.55 19.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.251 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 1.045 HG13 ' CD1' ' A' ' 8' ' ' ILE . 96.7 t -97.27 -55.11 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.582 1.176 . . . . 0.0 109.236 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.662 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -48.92 -54.8 13.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 109.244 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.902 ' CD2' HD21 ' A' ' 67' ' ' LEU . 1.8 m-30 -43.4 -28.39 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.775 HG12 HD11 ' A' ' 59' ' ' ILE . 1.8 mt -80.4 -76.24 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.354 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 81' ' ' GLU . 53.1 mt-30 -49.69 -53.33 25.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 110.236 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.52 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 0.8 OUTLIER -41.36 -42.28 2.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.91 -46.62 83.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 78' ' ' GLN . 0.6 OUTLIER -71.66 -18.53 62.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 110.269 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.459 ' CB ' ' O ' ' A' ' 81' ' ' GLU . 14.3 mt-10 82.92 90.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.25 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -129.6 -69.98 0.66 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.418 1.074 . . . . 0.0 110.268 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -112.2 95.8 32.07 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 52.22 2.98 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.519 1.8 . . . . 0.0 111.033 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -127.91 -64.83 0.94 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.538 1.149 . . . . 0.0 110.384 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.713 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . . . -169.59 -63.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.312 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.662 ' HB2' ' HB2' ' A' ' 75' ' ' ALA . . . -177.25 -167.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.868 HE22 HG11 ' A' ' 74' ' ' VAL . 0.7 OUTLIER -85.39 123.46 30.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.427 1.079 . . . . 0.0 110.333 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.599 ' HB3' ' O ' ' A' ' 89' ' ' GLN . . . 76.89 25.52 0.84 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.782 HD22 ' C ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -71.76 139.24 48.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -177.91 46.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.604 ' HB2' ' HB3' ' A' ' 99' ' ' ASN . . . -141.27 -71.58 0.35 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -131.63 172.49 12.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 39.2 mm -94.32 -52.07 10.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.49 1.118 . . . . 0.0 109.368 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.89 -9.88 54.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.15 -152.58 0.45 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 110.008 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.468 ' HG3' ' HB3' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -164.85 163.94 21.04 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.536 1.147 . . . . 0.0 110.381 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.604 ' HB3' ' HB2' ' A' ' 93' ' ' ALA . 1.3 t-20 -178.58 102.72 0.2 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 56.22 4.22 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -168.95 124.77 0.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -151.08 38.71 0.66 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 109.276 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 2.4 t -125.92 156.25 35.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -166.35 46.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -44.37 165.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.248 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.489 HG12 ' N ' ' A' ' 107' ' ' GLN . 14.8 t -122.09 169.85 12.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.489 ' N ' HG12 ' A' ' 106' ' ' VAL . 45.9 tt0 -179.55 90.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.55 1.156 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -175.96 45.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.359 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.07 55.95 1.31 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.52 1.138 . . . . 0.0 110.32 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 63.8 tp -131.71 142.14 49.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.578 1.174 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -141.43 97.49 3.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 110.347 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -140.5 104.66 4.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.3 -64.71 0.22 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.0 110.278 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 54.07 171.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.113 . . . . 0.0 109.993 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 17.5 tptp . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 109.239 -179.953 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.481 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 2.7 mtt . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.507 0.194 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.1 Cg_endo -75.06 -162.69 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.57 1.826 . . . . 0.0 111.034 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.556 ' O ' HG13 ' A' ' 3' ' ' VAL . 5.1 p -153.66 42.09 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.637 HG23 ' N ' ' A' ' 5' ' ' GLN . 0.4 OUTLIER -77.54 178.88 6.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.44 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.637 ' N ' HG23 ' A' ' 4' ' ' THR . 5.0 tp60 -48.14 -69.96 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.7 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -48.44 -21.63 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 110.36 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.449 ' HB2' ' N ' ' A' ' 4' ' ' THR . 1.0 OUTLIER -74.57 -46.94 35.51 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.436 1.085 . . . . 0.0 110.291 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 1.073 ' CD1' HG13 ' A' ' 74' ' ' VAL . 6.0 mt -88.14 -3.54 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.545 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.9 mt -105.15 -42.01 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.7 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -92.74 -36.04 13.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.34 -42.99 72.46 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.415 ' HB ' ' O ' ' A' ' 8' ' ' ILE . 0.8 OUTLIER -75.22 -53.38 16.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 109.343 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.545 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -42.53 -45.96 4.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -58.9 -44.86 91.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.579 1.174 . . . . 0.0 110.282 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 12' ' ' ILE . 14.4 mt -66.06 -42.58 91.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.474 HG23 ' OG1' ' A' ' 20' ' ' THR . 5.6 mt -53.58 -34.36 23.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.426 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 0.7 OUTLIER -73.12 -0.03 12.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.16 . . . . 0.0 110.28 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -105.35 -45.01 4.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.424 1.077 . . . . 0.0 110.41 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.778 HG12 ' OG ' ' A' ' 43' ' ' SER . 2.8 t -83.42 -67.62 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.6 1.188 . . . . 0.0 109.354 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.488 HG23 HD11 ' A' ' 47' ' ' ILE . 70.3 p -74.4 -22.82 58.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.59 1.181 . . . . 0.0 110.414 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.61 23.47 77.85 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.557 1.16 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.469 HG22 ' N ' ' A' ' 23' ' ' GLU . 48.8 mt -83.01 163.56 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.462 0.742 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.469 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -67.95 154.32 93.9 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.355 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -49.35 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.485 1.781 . . . . 0.0 111.049 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.47 -23.47 64.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 109.946 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.457 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 26.2 tt0 -61.35 -42.41 98.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.251 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.482 ' N ' ' CD1' ' A' ' 27' ' ' ILE . 0.6 OUTLIER -64.85 137.62 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.422 ' C ' ' H ' ' A' ' 30' ' ' GLU . 1.5 p -147.93 164.46 22.23 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 110.408 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.471 ' HB3' HD11 ' A' ' 9' ' ' ILE . 18.7 Cg_endo -74.93 43.05 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.537 1.809 . . . . 0.0 111.038 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.422 ' H ' ' C ' ' A' ' 28' ' ' THR . 4.1 pt-20 -140.31 8.74 2.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.428 ' HB2' HG23 ' A' ' 70' ' ' VAL . 0.9 OUTLIER -68.75 164.63 21.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.591 1.182 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.83 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -127.02 12.31 7.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.384 1.053 . . . . 0.0 109.981 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.556 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.1 t80 79.36 -31.5 0.14 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 110.965 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.56 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -140.15 -57.73 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.56 ' N ' HG12 ' A' ' 34' ' ' VAL . 13.6 t0 -38.78 -31.02 0.05 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.148 . . . . 0.0 109.261 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -107.16 -66.78 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.462 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 71.6 mt -43.52 -53.89 5.24 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER 65.72 16.35 10.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.699 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -99.7 -14.52 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.564 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 2.3 t70 87.14 -170.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 52.8 p -90.08 4.75 49.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.131 . . . . 0.0 110.037 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.51 -69.83 0.34 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.778 ' OG ' HG12 ' A' ' 19' ' ' VAL . 21.8 t -62.7 -48.06 80.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.965 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.462 ' SD ' ' CD1' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -48.27 -31.9 6.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 111.021 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.2 t -64.13 -31.93 55.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.355 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.495 ' CB ' HG11 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -75.77 -54.47 6.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.309 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.501 HG13 ' CG2' ' A' ' 19' ' ' VAL . 3.5 mt -41.68 -40.76 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.496 1.122 . . . . 0.0 109.239 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.99 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -75.53 -49.7 17.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.44 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -47.51 -26.6 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 54' ' ' LYS . 52.1 mt-30 -87.8 -59.72 2.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.296 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -51.27 -39.75 57.43 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.99 ' OE1' ' HB1' ' A' ' 48' ' ' ALA . 4.9 mt-10 -74.35 -0.46 17.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.369 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.7 -64.69 1.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.097 . . . . 0.0 109.258 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 50' ' ' GLN . 7.7 mtpp -44.65 -41.39 6.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.41 ' OH ' ' CD ' ' A' ' 7' ' ' GLU . 1.2 m-85 -104.4 -45.99 4.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 98.08 34.18 5.49 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.527 HG22 ' HA ' ' A' ' 52' ' ' GLU . 5.4 m -70.91 157.95 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.606 0.827 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.61 98.75 10.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.841 HD11 ' CD1' ' A' ' 77' ' ' ILE . 28.5 mt -150.76 69.13 8.5 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 169.47 22.54 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.527 1.804 . . . . 0.0 111.021 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.07 -40.32 67.07 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 109.272 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -50.82 -21.66 1.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.506 ' OD1' ' CE2' ' A' ' 76' ' ' TYR . 0.6 OUTLIER -114.38 -34.86 5.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.57 HD13 ' O ' ' A' ' 64' ' ' LEU . 0.9 OUTLIER -58.69 -16.99 18.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.158 . . . . 0.0 109.362 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.33 -42.28 37.31 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -73.71 -43.08 37.02 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.937 HD13 HG13 ' A' ' 73' ' ' VAL . 19.3 mt -39.57 117.03 0.68 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 0.766 . . . . 0.0 109.298 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.33 -40.05 4.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.301 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.83 HG22 ' HA ' ' A' ' 32' ' ' SER . 43.1 p -136.57 168.71 18.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 110.454 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.821 ' O ' HG23 ' A' ' 74' ' ' VAL . 11.5 t -51.27 -47.91 33.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -50.48 -37.88 33.76 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.539 1.15 . . . . 0.0 111.004 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.456 ' C ' HD22 ' A' ' 67' ' ' LEU . 4.4 t0 -80.05 -35.68 36.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 0.756 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.937 HG13 HD13 ' A' ' 67' ' ' LEU . 21.0 t -73.52 -15.2 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.362 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 1.073 HG13 ' CD1' ' A' ' 8' ' ' ILE . 95.9 t -96.41 -58.14 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 1.072 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -46.0 -56.1 5.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.837 ' CD2' HD21 ' A' ' 67' ' ' LEU . 1.6 m-30 -42.42 -27.8 0.17 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.841 ' CD1' HD11 ' A' ' 59' ' ' ILE . 4.4 mt -82.83 -76.48 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 82' ' ' GLU . 36.9 mt-30 -49.57 -53.86 21.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.257 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.652 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 2.3 mmmp? -40.84 -49.66 3.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 109.323 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.29 -43.76 95.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.265 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 78' ' ' GLN . 6.9 mm-40 -70.38 -21.85 62.82 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 110.245 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 78' ' ' GLN . 13.5 mt-10 81.71 89.19 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -134.63 -68.23 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.34 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -116.06 86.15 16.39 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 53.93 3.47 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.541 1.811 . . . . 0.0 110.949 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.616 ' O ' ' HB2' ' A' ' 87' ' ' ALA . 2.4 tp10 -125.46 -62.81 1.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 110.285 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.683 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . . . 168.66 58.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 1.072 ' HB2' ' HB2' ' A' ' 75' ' ' ALA . . . 60.72 -165.01 0.22 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.544 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -105.96 68.83 0.79 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.289 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.544 ' HB2' ' O ' ' A' ' 89' ' ' GLN . . . 173.42 56.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.743 HD22 ' C ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -138.4 143.21 39.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -176.16 46.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.344 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -177.66 -65.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -126.32 134.7 51.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.087 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.9 mp -56.53 -62.42 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 109.254 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.429 ' O ' ' N ' ' A' ' 98' ' ' GLU . 0.8 OUTLIER -69.34 -66.75 0.54 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.524 1.14 . . . . 0.0 110.237 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.1 m -67.91 68.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.025 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 96' ' ' GLU . 41.6 mt-10 -58.83 130.32 46.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.357 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.5 p30 -40.85 101.08 0.23 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 55.76 4.09 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.528 1.804 . . . . 0.0 110.953 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.668 ' O ' ' HB3' ' A' ' 102' ' ' ALA . 1.3 t70 -171.22 -55.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.668 ' HB3' ' O ' ' A' ' 101' ' ' ASP . . . 82.17 38.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.702 HG13 ' N ' ' A' ' 104' ' ' ALA . 1.1 p -131.66 -158.64 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.702 ' N ' HG13 ' A' ' 103' ' ' VAL . . . 174.73 53.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 39.3 p30 172.87 150.88 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.754 HG13 ' N ' ' A' ' 107' ' ' GLN . 1.5 p -122.8 -153.35 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.378 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.754 ' N ' HG13 ' A' ' 106' ' ' VAL . 25.0 tt0 -179.2 148.7 0.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 110.31 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 107' ' ' GLN . . . 83.6 26.07 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.234 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.97 58.3 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 58.7 tp -137.83 138.5 39.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 39.7 mm-40 -148.58 109.81 4.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.321 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -145.21 72.21 1.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 174.92 57.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 65.6 m -118.31 108.03 14.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 110.02 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.8 tptp . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.484 0.183 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -174.84 2.09 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.467 1.772 . . . . 0.0 110.961 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.455 HG22 ' H ' ' A' ' 4' ' ' THR . 4.0 p -84.86 169.58 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.544 HG23 ' N ' ' A' ' 5' ' ' GLN . 0.3 OUTLIER -178.42 172.81 1.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.454 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.544 ' N ' HG23 ' A' ' 4' ' ' THR . 5.5 tp60 -49.76 -70.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.345 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.731 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -49.37 -20.96 0.76 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.083 . . . . 0.0 110.321 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.7 -42.78 57.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.261 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 1.037 HD12 HG13 ' A' ' 74' ' ' VAL . 6.0 mt -93.52 -4.3 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.558 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.9 mt -105.05 -40.73 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.731 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -93.89 -34.35 13.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.95 -40.61 62.74 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.462 1.102 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.463 HD11 HG21 ' A' ' 51' ' ' THR . 1.1 mt -78.67 -53.38 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.451 0.736 . . . . 0.0 109.242 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -42.4 -47.51 4.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -58.67 -47.03 85.88 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.57 1.169 . . . . 0.0 110.306 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.586 HG23 ' NE2' ' A' ' 50' ' ' GLN . 30.2 mt -62.96 -41.99 94.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.579 1.174 . . . . 0.0 109.354 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.43 ' CG2' ' OG1' ' A' ' 20' ' ' THR . 5.6 mt -53.78 -34.23 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -73.51 0.55 12.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.254 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -106.21 -43.71 4.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.226 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.773 HG12 ' OG ' ' A' ' 43' ' ' SER . 2.6 t -84.39 -66.55 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.67 HG23 HD11 ' A' ' 47' ' ' ILE . 65.8 p -75.39 -26.96 58.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.365 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.09 20.99 74.8 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.516 HG22 ' N ' ' A' ' 23' ' ' GLU . 49.1 mt -80.88 166.95 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.557 0.798 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.516 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -70.6 151.34 95.47 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.254 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -50.1 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.484 1.781 . . . . 0.0 110.961 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.01 -25.48 67.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 110.042 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.416 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 18.2 tt0 -62.22 -43.98 97.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 110.333 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.448 HD13 ' O ' ' A' ' 23' ' ' GLU . 0.6 OUTLIER -62.24 138.6 22.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.361 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.426 ' C ' ' H ' ' A' ' 30' ' ' GLU . 0.8 OUTLIER -151.15 166.18 15.69 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 110.394 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.475 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 18.1 Cg_endo -75.06 42.48 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.51 1.795 . . . . 0.0 110.944 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.426 ' H ' ' C ' ' A' ' 28' ' ' THR . 3.2 mm-40 -137.56 6.59 2.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.349 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.47 ' O ' HG22 ' A' ' 69' ' ' THR . 0.8 OUTLIER -67.42 164.43 18.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.103 . . . . 0.0 109.326 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.693 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -126.03 14.16 7.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.986 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.573 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.5 t80 80.39 -37.46 0.15 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.533 1.146 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.545 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -137.55 -56.11 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.545 ' N ' HG12 ' A' ' 34' ' ' VAL . 11.2 t0 -38.13 -31.79 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -106.17 -67.63 0.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.414 HD12 ' O ' ' A' ' 33' ' ' PHE . 91.0 mt -42.93 -53.68 4.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.9 OUTLIER 65.24 15.51 10.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.649 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -96.73 -15.78 7.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.569 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 3.4 t70 88.18 -170.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.5 p -90.1 1.01 56.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.028 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.02 -70.25 0.27 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.773 ' OG ' HG12 ' A' ' 19' ' ' VAL . 14.6 t -63.0 -46.36 88.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.018 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -49.33 -32.15 10.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.2 t -63.13 -34.1 64.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.522 ' CB ' HG11 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -73.51 -54.95 7.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.093 . . . . 0.0 110.286 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.67 HD11 HG23 ' A' ' 20' ' ' THR . 3.9 mt -43.93 -37.59 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.26 -47.19 18.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.278 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -47.61 -28.02 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.586 ' NE2' HG23 ' A' ' 15' ' ' ILE . 41.1 mt-30 -88.09 -59.61 2.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.411 1.069 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.463 HG21 HD11 ' A' ' 12' ' ' ILE . 2.3 m -51.85 -37.77 53.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.403 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.527 ' HA ' HG22 ' A' ' 57' ' ' VAL . 24.1 mt-10 -75.31 -2.69 29.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.632 1.208 . . . . 0.0 110.347 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.48 -62.55 1.57 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' GLN . 6.5 mtpp -42.7 -40.78 2.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.087 . . . . 0.0 109.323 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.576 ' HB3' HG13 ' A' ' 57' ' ' VAL . 0.1 OUTLIER -103.68 -38.84 6.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.981 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 91.42 31.26 9.74 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.475 1.109 . . . . 0.0 110.976 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.576 HG13 ' HB3' ' A' ' 55' ' ' TYR . 30.8 m -75.34 152.46 6.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.511 0.771 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.5 108.83 21.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.641 HG22 HD23 ' A' ' 64' ' ' LEU . 4.5 mt -144.3 63.87 11.67 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 59' ' ' ILE . 18.4 Cg_endo -75.0 173.22 14.89 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.49 1.784 . . . . 0.0 111.04 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.421 ' C ' ' N ' ' A' ' 63' ' ' ASP . 0.4 OUTLIER -52.43 -39.59 61.19 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -41.97 -27.42 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.295 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.702 ' CB ' ' CE2' ' A' ' 76' ' ' TYR . 0.2 OUTLIER -120.57 -45.41 2.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.259 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.641 HD23 HG22 ' A' ' 59' ' ' ILE . 0.8 OUTLIER -46.1 -26.07 0.69 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.276 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.41 -43.64 63.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . -74.77 -47.09 15.53 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.562 1.164 . . . . 0.0 110.964 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.955 ' HB3' HG22 ' A' ' 73' ' ' VAL . 27.2 mt -39.29 128.21 1.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.97 -48.01 2.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 110.23 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.813 ' O ' HG23 ' A' ' 73' ' ' VAL . 73.5 p -125.63 168.88 13.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.409 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.825 ' O ' HG23 ' A' ' 74' ' ' VAL . 14.4 t -51.22 -44.09 29.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -54.88 -33.58 56.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.803 ' O ' HD22 ' A' ' 67' ' ' LEU . 7.3 t0 -85.31 -28.73 25.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.267 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.955 HG22 ' HB3' ' A' ' 67' ' ' LEU . 14.2 t -82.87 -13.5 12.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.422 1.077 . . . . 0.0 109.344 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 1.037 HG13 HD12 ' A' ' 8' ' ' ILE . 90.0 t -97.33 -51.54 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.747 ' HB2' ' CB ' ' A' ' 88' ' ' ALA . . . -44.03 -58.13 2.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.702 ' CE2' ' CB ' ' A' ' 63' ' ' ASP . 7.8 t80 -46.33 -25.04 0.57 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 111.028 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.681 HD12 HD13 ' A' ' 8' ' ' ILE . 4.8 mt -80.05 -75.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.423 ' O ' ' C ' ' A' ' 79' ' ' LYS . 40.2 mt-30 -54.35 -52.32 61.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.539 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 10.4 mmmt -38.94 -48.61 1.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.196 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.55 -52.06 11.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.435 1.084 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.12 -64.64 0.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.306 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -111.53 -98.22 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.246 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -154.17 -71.89 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.4 t30 69.96 67.96 0.42 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 54.13 3.54 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.564 1.823 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.64 ' O ' HD12 ' A' ' 95' ' ' ILE . 3.4 tp10 -138.68 -63.55 0.54 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.276 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.464 ' HB2' ' HG ' ' A' ' 91' ' ' LEU . . . -178.66 -83.9 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.222 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.747 ' CB ' ' HB2' ' A' ' 75' ' ' ALA . . . -179.41 41.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.376 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.658 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 11.6 mt-30 68.54 132.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.263 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.658 ' HB3' ' O ' ' A' ' 89' ' ' GLN . . . 82.26 47.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.945 HD21 ' O ' ' A' ' 94' ' ' LYS . 0.6 OUTLIER -130.56 119.69 22.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.544 ' N ' HD13 ' A' ' 91' ' ' LEU . 0.4 OUTLIER -159.43 54.57 0.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.25 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -173.1 -64.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.945 ' O ' HD21 ' A' ' 91' ' ' LEU . 10.3 mttm -139.15 134.29 32.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.64 HD12 ' O ' ' A' ' 86' ' ' GLU . 28.6 mm -59.43 -82.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -42.79 -60.24 1.66 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.107 . . . . 0.0 110.25 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.3 m -68.76 69.96 0.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.504 ' HG2' HD23 ' A' ' 91' ' ' LEU . 38.8 mt-10 -54.72 138.66 41.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.335 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 178.69 135.06 0.24 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.428 ' O ' ' O ' ' A' ' 101' ' ' ASP . 18.5 Cg_endo -74.95 73.69 4.22 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.525 1.803 . . . . 0.0 111.027 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.428 ' O ' ' O ' ' A' ' 100' ' ' PRO . 2.1 t70 60.61 143.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.589 1.181 . . . . 0.0 109.249 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.529 ' O ' HG12 ' A' ' 103' ' ' VAL . . . -175.22 49.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.771 HG22 ' H ' ' A' ' 104' ' ' ALA . 2.5 p 44.64 -167.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 109.356 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.771 ' H ' HG22 ' A' ' 103' ' ' VAL . . . -160.87 -57.02 0.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.468 1.105 . . . . 0.0 109.35 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -52.09 143.56 13.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 109.345 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -128.34 -179.86 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -165.57 108.6 0.81 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.334 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -172.08 47.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -143.33 71.52 1.34 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.536 1.147 . . . . 0.0 110.299 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 12.8 tp -93.53 147.15 23.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -150.24 105.56 3.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -133.25 168.09 19.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.279 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 76.45 22.66 1.22 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 110.296 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 71.5 m -120.44 125.82 48.89 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.046 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mtt . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.464 0.173 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 3' ' ' VAL . 18.1 Cg_endo -75.02 169.05 23.48 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.468 1.773 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.468 ' CG1' ' HG2' ' A' ' 78' ' ' GLN . 0.3 OUTLIER -39.94 145.79 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -170.83 164.81 7.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.426 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.458 ' CD ' ' NE2' ' A' ' 89' ' ' GLN . 5.8 tp60 -43.11 -73.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.72 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -48.89 -21.91 0.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.334 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 5' ' ' GLN . 1.6 mm-40 -74.96 -42.2 58.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.52 1.137 . . . . 0.0 110.266 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 1.072 ' CD1' HG13 ' A' ' 74' ' ' VAL . 4.1 mt -93.7 -3.77 10.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 109.339 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.532 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.5 mt -105.94 -40.94 5.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.72 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -93.39 -35.05 13.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.248 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.72 -40.17 65.69 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.47 1.106 . . . . 0.0 110.985 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -78.14 -53.21 14.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.436 0.727 . . . . 0.0 109.36 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.532 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -42.65 -48.29 5.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.55 -45.95 84.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 110.272 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.418 HG23 ' NE2' ' A' ' 50' ' ' GLN . 53.3 mt -64.16 -43.56 97.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.39 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.44 HG22 ' HB ' ' A' ' 22' ' ' ILE . 4.8 mt -53.31 -34.87 23.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.409 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 0.8 OUTLIER -73.38 0.33 12.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.597 1.186 . . . . 0.0 110.297 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -106.31 -45.74 4.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.888 HG12 ' OG ' ' A' ' 43' ' ' SER . 2.8 t -82.76 -67.6 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.83 HG23 HD11 ' A' ' 47' ' ' ILE . 36.6 p -73.21 -28.13 62.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 110.395 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.49 22.61 66.95 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.494 HG22 ' N ' ' A' ' 23' ' ' GLU . 44.2 mt -82.7 165.63 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 0.76 . . . . 0.0 109.247 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.494 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -69.55 151.79 96.52 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.134 . . . . 0.0 110.291 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -49.29 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.428 1.752 . . . . 0.0 110.966 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.13 -23.97 65.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.995 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.424 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 17.3 tt0 -62.5 -43.83 97.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.231 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.45 ' N ' ' CD1' ' A' ' 27' ' ' ILE . 0.7 OUTLIER -62.99 132.58 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.43 ' C ' ' H ' ' A' ' 30' ' ' GLU . 0.8 OUTLIER -147.25 166.23 16.73 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.431 1.082 . . . . 0.0 110.406 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.411 ' HD2' ' HB ' ' A' ' 28' ' ' THR . 18.2 Cg_endo -75.01 42.22 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.536 1.809 . . . . 0.0 111.036 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.43 ' H ' ' C ' ' A' ' 28' ' ' THR . 1.7 mt-10 -137.56 6.66 2.75 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.495 1.122 . . . . 0.0 110.258 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.53 ' O ' HG22 ' A' ' 69' ' ' THR . 0.8 OUTLIER -70.64 164.62 24.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.323 179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.627 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -124.16 13.99 9.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.99 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.578 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.3 t80 80.72 -37.1 0.13 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 110.98 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.544 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -137.74 -56.09 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.314 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.544 ' N ' HG12 ' A' ' 34' ' ' VAL . 3.3 t70 -37.64 -32.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -105.75 -67.56 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 0.0 109.316 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.443 HD12 ' O ' ' A' ' 33' ' ' PHE . 70.6 mt -41.32 -53.71 3.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.285 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 65.35 14.64 9.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.635 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -95.75 -20.78 5.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.588 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 6.9 t0 89.27 -170.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.8 p -88.48 3.19 51.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 110.083 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.73 -70.77 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.419 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.888 ' OG ' HG12 ' A' ' 19' ' ' VAL . 1.7 t -64.95 -45.8 84.22 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.55 1.156 . . . . 0.0 110.036 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.418 ' SD ' ' CE1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -50.19 -34.5 22.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.953 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -59.34 -37.01 67.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.47 ' CB ' HG11 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -72.44 -54.19 10.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.145 . . . . 0.0 110.319 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.83 HD11 HG23 ' A' ' 20' ' ' THR . 3.2 mt -44.03 -34.98 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.701 ' HB1' ' OE2' ' A' ' 52' ' ' GLU . . . -81.92 -46.67 13.73 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.44 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -50.31 -24.34 2.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 109.289 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 54' ' ' LYS . 40.3 mt-30 -91.14 -59.99 2.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.286 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.4 m -51.93 -37.77 53.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 110.421 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.816 ' HA ' HG22 ' A' ' 57' ' ' VAL . 14.4 mt-10 -76.25 -2.38 31.11 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.441 1.088 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.53 -62.0 1.66 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' GLN . 1.8 mtpp -41.69 -42.02 2.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.417 1.073 . . . . 0.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -104.89 -50.3 3.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 111.039 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 110.06 18.67 8.6 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.453 1.096 . . . . 0.0 111.03 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.816 HG22 ' HA ' ' A' ' 52' ' ' GLU . 12.9 m -54.06 149.07 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 0.748 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.81 102.74 13.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.602 HD11 ' CG1' ' A' ' 77' ' ' ILE . 49.8 mt -143.81 73.3 16.87 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.05 170.85 19.5 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.464 1.771 . . . . 0.0 110.945 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.411 ' C ' ' N ' ' A' ' 63' ' ' ASP . 0.2 OUTLIER -56.45 -40.15 74.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.69 -24.46 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.68 ' CB ' ' CE2' ' A' ' 76' ' ' TYR . 0.2 OUTLIER -115.7 -39.81 3.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.27 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.518 HD23 HG22 ' A' ' 59' ' ' ILE . 0.7 OUTLIER -53.35 -20.91 4.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.82 -41.76 59.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.311 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -76.29 -45.96 13.67 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.43 1.081 . . . . 0.0 110.963 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.869 ' HB3' HG22 ' A' ' 73' ' ' VAL . 19.3 mt -39.57 118.51 0.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 0.751 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.69 -38.97 5.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.841 ' O ' HG23 ' A' ' 73' ' ' VAL . 45.4 p -131.63 169.84 15.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 110.421 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.512 HG12 ' CG2' ' A' ' 74' ' ' VAL . 7.7 t -56.44 -51.16 68.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.262 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -44.55 -32.76 2.97 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.52 1.137 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.463 ' C ' HD22 ' A' ' 67' ' ' LEU . 4.8 t0 -86.52 -34.65 19.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 0.753 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.869 HG22 ' HB3' ' A' ' 67' ' ' LEU . 16.7 t -76.8 -11.29 13.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.385 1.053 . . . . 0.0 109.382 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 1.072 HG13 ' CD1' ' A' ' 8' ' ' ILE . 74.8 t -100.61 -57.64 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.793 ' HB1' ' CD ' ' A' ' 79' ' ' LYS . . . -45.27 -54.61 6.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 109.36 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.68 ' CE2' ' CB ' ' A' ' 63' ' ' ASP . 2.2 t80 -47.83 -24.1 0.91 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.786 HD12 HD13 ' A' ' 8' ' ' ILE . 12.2 mt -84.11 -68.16 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.468 ' HG2' ' CG1' ' A' ' 3' ' ' VAL . 69.8 mt-30 -59.11 -60.18 4.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.793 ' CD ' ' HB1' ' A' ' 75' ' ' ALA . 1.7 mtpt -42.46 -37.28 1.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.449 HD23 ' O ' ' A' ' 76' ' ' TYR . 0.4 OUTLIER -59.1 -48.5 81.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 78' ' ' GLN . 1.4 mm-40 -71.38 -82.3 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 169.33 88.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.253 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -136.85 -72.98 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -126.84 72.13 75.03 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.447 1.092 . . . . 0.0 109.363 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.407 ' HA ' ' HE2' ' A' ' 79' ' ' LYS . 18.1 Cg_endo -74.95 52.19 2.97 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.492 1.785 . . . . 0.0 110.996 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -142.57 -54.96 0.42 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 110.323 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.431 ' O ' ' O ' ' A' ' 88' ' ' ALA . . . -161.27 126.98 3.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.166 . . . . 0.0 109.224 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.61 ' HB2' ' HB2' ' A' ' 75' ' ' ALA . . . -42.27 164.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.382 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.672 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -80.71 86.36 5.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.384 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.672 ' HB2' ' O ' ' A' ' 89' ' ' GLN . . . 163.89 45.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.343 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.674 HD22 ' C ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -137.08 147.55 46.16 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.329 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.23 46.05 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 0.0 110.335 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -170.31 -69.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.65 175.19 5.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.443 ' N ' HD12 ' A' ' 95' ' ' ILE . 3.2 mp -79.88 -58.88 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.62 -76.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 110.281 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.21 124.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 110.033 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -114.13 -55.11 2.53 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.559 1.162 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 173.57 124.09 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.465 ' HB3' ' CA ' ' A' ' 90' ' ' ALA . 18.1 Cg_endo -74.97 -6.73 18.45 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.492 1.785 . . . . 0.0 110.964 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -168.18 125.22 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -162.79 41.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.38 1.05 . . . . 0.0 109.338 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.604 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 3.1 t -136.84 163.03 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.25 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.723 ' O ' HG23 ' A' ' 106' ' ' VAL . . . 77.94 31.47 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -56.51 89.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 104' ' ' ALA . 19.9 t -124.64 170.57 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.673 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.0 OUTLIER -134.78 -155.08 0.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 110.315 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 107' ' ' GLN . . . 81.84 39.47 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -111.68 46.75 1.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.241 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 41.0 tp -126.61 145.89 50.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -138.74 111.54 7.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 110.28 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -166.13 125.5 1.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -162.87 -60.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.341 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.1 m 56.2 165.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.974 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.1 tttp . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.257 -179.899 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.8 mtt . . . . . 0 N--CA 1.453 -0.321 0 CA-C-O 120.559 0.219 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 177.06 9.07 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.51 1.795 . . . . 0.0 111.005 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.698 ' O ' HG13 ' A' ' 3' ' ' VAL . 8.0 p -127.61 97.34 3.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.133 . . . . 0.0 109.365 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.0 t -88.17 -175.86 5.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.107 . . . . 0.0 110.444 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.482 ' NE2' ' NE2' ' A' ' 89' ' ' GLN . 2.0 tp60 -58.61 -64.12 1.04 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.571 1.169 . . . . 0.0 110.32 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.783 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -51.99 -18.47 1.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.073 . . . . 0.0 110.333 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.42 -44.1 46.33 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.274 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.887 HG21 HG22 ' A' ' 74' ' ' VAL . 5.8 mt -92.92 -4.23 10.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.282 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.551 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.7 mt -105.37 -41.67 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.597 1.186 . . . . 0.0 109.23 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.783 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -92.96 -34.78 13.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.565 1.166 . . . . 0.0 109.36 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.37 -39.54 70.12 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.546 1.154 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.1 mt -79.66 -53.48 13.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 0.764 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.551 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -42.46 -47.0 4.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -59.64 -46.02 90.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.354 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.459 HG22 ' CG1' ' A' ' 47' ' ' ILE . 26.5 mt -63.45 -40.49 89.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.53 ' HA ' HD11 ' A' ' 47' ' ' ILE . 5.0 mt -57.16 -34.7 46.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.499 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 1.3 tm-20 -75.09 -0.3 18.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.259 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -104.58 -45.22 4.68 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 110.271 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.867 HG12 ' OG ' ' A' ' 43' ' ' SER . 2.5 t -83.51 -68.18 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.827 HG22 ' HB3' ' A' ' 43' ' ' SER . 19.8 p -72.01 -27.36 62.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.557 1.16 . . . . 0.0 110.418 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.57 21.63 68.9 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.549 1.156 . . . . 0.0 111.062 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.53 HG22 ' N ' ' A' ' 23' ' ' GLU . 44.2 mt -81.53 167.2 2.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 0.75 . . . . 0.0 109.307 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.53 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -71.6 151.58 93.69 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.286 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.403 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 18.3 Cg_endo -75.02 -49.33 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.487 1.782 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.52 -23.5 65.46 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.971 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.447 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 19.8 tt0 -62.76 -43.45 98.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 110.339 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.589 ' O ' HG23 ' A' ' 28' ' ' THR . 0.7 OUTLIER -62.7 142.21 16.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.26 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.589 HG23 ' O ' ' A' ' 27' ' ' ILE . 0.8 OUTLIER -156.88 166.39 16.73 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.497 1.123 . . . . 0.0 110.389 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 43.07 0.92 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.473 1.775 . . . . 0.0 111.027 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.419 ' H ' ' C ' ' A' ' 28' ' ' THR . 2.6 mm-40 -137.11 6.19 2.83 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.224 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.659 ' O ' HG22 ' A' ' 69' ' ' THR . 0.4 OUTLIER -67.81 167.68 12.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.566 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -132.93 20.28 4.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.995 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.675 ' CZ ' HD11 ' A' ' 64' ' ' LEU . 0.5 OUTLIER 80.09 -40.12 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.905 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.49 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.0 OUTLIER -138.23 -54.61 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.49 ' N ' HG12 ' A' ' 34' ' ' VAL . 4.9 t70 -37.96 -31.7 0.05 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER -106.67 -67.63 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.331 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.441 HD12 ' SD ' ' A' ' 44' ' ' MET . 81.9 mt -44.04 -52.52 7.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.5 OUTLIER 63.45 14.37 7.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.386 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.596 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.2 OUTLIER -93.99 -20.93 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.596 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 7.9 t0 89.58 -172.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.517 1.135 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.723 ' O ' HG23 ' A' ' 45' ' ' VAL . 83.1 p -87.8 2.83 50.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 109.994 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.28 -71.7 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.867 ' OG ' HG12 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -66.46 -40.42 89.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.993 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.619 ' HE1' ' CD2' ' A' ' 33' ' ' PHE . 6.3 mtm -53.13 -34.99 59.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.59 1.181 . . . . 0.0 111.0 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 41' ' ' SER . 2.0 t -59.64 -38.17 74.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.586 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -69.87 -54.89 11.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 110.292 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.808 HD11 HG23 ' A' ' 20' ' ' THR . 2.4 mt -47.04 -31.01 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.975 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -84.9 -48.1 9.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.25 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.586 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -49.27 -24.24 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 54' ' ' LYS . 44.9 mt-30 -90.1 -60.41 1.94 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.343 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.1 m -51.61 -39.19 57.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.412 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.975 ' OE1' ' HB1' ' A' ' 48' ' ' ALA . 4.8 mt-10 -74.45 -2.31 24.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.599 1.187 . . . . 0.0 110.307 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 54' ' ' LYS . 0.5 OUTLIER -116.15 -61.19 1.77 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 50' ' ' GLN . 13.0 mttt -40.11 -41.4 1.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.575 ' CE2' ' HB ' ' A' ' 3' ' ' VAL . 32.2 t80 -106.67 -47.9 3.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 106.38 26.93 5.74 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.476 1.11 . . . . 0.0 111.004 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.845 HG22 ' HA ' ' A' ' 52' ' ' GLU . 18.7 m -63.01 149.95 9.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.479 0.753 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.34 113.82 27.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.458 HG23 HD12 ' A' ' 67' ' ' LEU . 27.2 mt -151.2 73.65 8.4 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 170.6 20.06 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.518 1.799 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.78 -40.74 80.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.226 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -50.09 -22.06 1.51 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 110.352 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.562 ' CG ' ' CZ ' ' A' ' 76' ' ' TYR . 0.1 OUTLIER -113.39 -34.07 5.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.675 HD11 ' CZ ' ' A' ' 33' ' ' PHE . 0.8 OUTLIER -58.85 -16.44 17.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.48 -26.44 60.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.253 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.08 -58.7 1.14 Allowed Glycine 0 CA--C 1.528 0.892 0 O-C-N 124.488 1.118 . . . . 0.0 110.973 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.968 HD13 ' HA ' ' A' ' 73' ' ' VAL . 11.0 mt -45.3 118.48 1.73 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.375 0.691 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.72 -56.55 2.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.564 1.165 . . . . 0.0 110.3 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.903 ' O ' HG23 ' A' ' 73' ' ' VAL . 78.3 p -97.56 174.01 6.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.354 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.583 ' O ' HG23 ' A' ' 74' ' ' VAL . 2.5 t -64.33 -36.95 78.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -65.72 -20.83 68.63 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.84 ' O ' HD22 ' A' ' 67' ' ' LEU . 8.0 t0 -98.78 -30.46 12.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 0.782 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.968 ' HA ' HD13 ' A' ' 67' ' ' LEU . 34.3 t -84.59 -12.89 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.157 . . . . 0.0 109.272 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.887 HG22 HG21 ' A' ' 8' ' ' ILE . 45.8 t -98.44 -47.15 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.766 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -44.56 -56.91 3.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.143 . . . . 0.0 109.273 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.562 ' CZ ' ' CG ' ' A' ' 63' ' ' ASP . 5.6 t80 -49.18 -20.9 0.66 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.418 1.074 . . . . 0.0 110.989 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.514 HD12 HD13 ' A' ' 8' ' ' ILE . 3.2 mt -83.02 -67.22 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' A' ' 81' ' ' GLU . 52.2 mt-30 -65.99 -51.98 53.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.692 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 18.1 mmtm -39.67 -54.26 2.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.449 ' HB2' ' O ' ' A' ' 76' ' ' TYR . 0.2 OUTLIER -59.87 -41.28 91.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.267 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 78' ' ' GLN . 0.0 OUTLIER -55.26 -51.7 65.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.288 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.5 ' O ' ' CG ' ' A' ' 83' ' ' GLU . 1.4 pt-20 -116.04 -101.49 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.286 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 82' ' ' GLU . 37.0 mt-10 -159.37 -79.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.484 ' HB3' ' CD ' ' A' ' 79' ' ' LYS . 2.2 t30 63.87 79.74 0.25 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.33 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 55.05 3.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.473 1.775 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.547 ' HG2' HD21 ' A' ' 91' ' ' LEU . 1.8 tp10 -139.19 -71.8 0.4 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.588 1.18 . . . . 0.0 110.277 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.622 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . . . -177.85 -72.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.766 ' HB2' ' HB2' ' A' ' 75' ' ' ALA . . . 176.15 -166.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 109.348 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.482 ' NE2' ' NE2' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -82.96 84.04 7.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.403 ' HB2' ' O ' ' A' ' 89' ' ' GLN . . . 179.95 -57.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.262 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.827 HD22 ' N ' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -60.93 168.02 2.59 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.448 1.093 . . . . 0.0 109.303 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.827 ' N ' HD22 ' A' ' 91' ' ' LEU . 1.5 ptt85 178.17 44.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.171 . . . . 0.0 110.311 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.421 ' HB2' ' O ' ' A' ' 92' ' ' ARG . . . 179.0 -57.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.279 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.616 ' O ' HD23 ' A' ' 91' ' ' LEU . 0.5 OUTLIER -99.3 176.76 5.42 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.553 1.158 . . . . 0.0 109.259 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.518 ' O ' ' HB2' ' A' ' 87' ' ' ALA . 1.9 mp -73.68 -71.26 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.445 ' N ' HG22 ' A' ' 95' ' ' ILE . 0.0 OUTLIER -54.32 -78.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.64 117.6 0.08 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.953 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -157.46 24.48 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -41.53 101.7 0.25 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 71.58 4.93 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.506 1.793 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.602 ' O ' ' HB3' ' A' ' 102' ' ' ALA . 1.9 t0 -162.14 -67.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.308 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.602 ' HB3' ' O ' ' A' ' 101' ' ' ASP . . . 77.6 35.89 0.29 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.478 HG23 ' HB3' ' A' ' 101' ' ' ASP . 3.8 t -62.8 162.11 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.256 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -172.56 -48.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 9.6 t30 168.96 131.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.255 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.478 HG12 ' H ' ' A' ' 107' ' ' GLN . 0.8 OUTLIER -143.81 176.03 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.478 ' H ' HG12 ' A' ' 106' ' ' VAL . 61.0 tt0 -179.0 97.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -173.89 37.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.33 52.19 1.32 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.429 1.081 . . . . 0.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.45 169.12 10.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -141.39 82.12 1.81 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -145.93 89.35 1.88 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.276 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -147.22 -67.0 0.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 75.0 m 61.9 167.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.982 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 7.8 ttpp . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.352 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.574 0.226 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -163.08 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.478 1.778 . . . . 0.0 111.075 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.544 HG22 HD11 ' A' ' 8' ' ' ILE . 14.1 p -147.8 51.81 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.238 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.471 ' N ' ' HB2' ' A' ' 7' ' ' GLU . 5.5 t -77.97 -177.88 5.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 110.36 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.473 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 4.5 tp60 -50.79 -68.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.268 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.754 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -49.6 -20.62 0.81 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.287 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.471 ' HB2' ' N ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -74.77 -45.88 40.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.276 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 1.039 HD12 HG13 ' A' ' 74' ' ' VAL . 5.0 mt -90.71 -2.91 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.575 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.8 mt -106.32 -42.04 6.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.1 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.754 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -92.94 -36.86 12.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.69 -42.91 78.21 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.476 1.11 . . . . 0.0 110.981 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -75.6 -53.33 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.511 0.771 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.575 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -42.24 -47.05 4.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.28 -47.35 81.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.345 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.553 HG23 ' NE2' ' A' ' 50' ' ' GLN . 49.2 mt -64.57 -43.85 96.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 109.242 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.467 ' CG2' ' OG1' ' A' ' 20' ' ' THR . 7.6 mt -53.02 -36.39 24.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.498 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 4.6 tm-20 -72.01 -0.23 11.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -105.85 -45.79 4.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.358 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.829 HG12 ' OG ' ' A' ' 43' ' ' SER . 2.5 t -83.18 -68.59 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.77 HG23 HD11 ' A' ' 47' ' ' ILE . 68.4 p -70.44 -27.95 64.66 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.553 1.158 . . . . 0.0 110.368 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.92 32.82 52.31 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.471 1.107 . . . . 0.0 111.042 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.517 HG22 ' N ' ' A' ' 23' ' ' GLU . 42.1 mt -93.95 166.95 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.513 0.772 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.517 ' N ' HG22 ' A' ' 22' ' ' ILE . 1.7 mt-10 -69.42 153.08 96.15 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -50.06 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.382 1.727 . . . . 0.0 110.963 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.54 -22.27 63.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.985 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.427 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 59.7 tt0 -65.29 -49.58 68.97 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 110.234 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.447 HD13 ' O ' ' A' ' 23' ' ' GLU . 0.8 OUTLIER -55.38 120.34 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.401 ' O ' HG21 ' A' ' 70' ' ' VAL . 1.3 p -126.55 164.37 34.86 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.46 1.1 . . . . 0.0 110.408 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.459 ' HB3' HD11 ' A' ' 9' ' ' ILE . 18.1 Cg_endo -75.06 0.27 9.14 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.469 1.773 . . . . 0.0 110.959 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.57 3.33 52.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.284 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.99 169.82 3.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.781 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -126.42 9.29 7.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 109.967 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.559 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.0 OUTLIER 79.7 -36.04 0.15 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.556 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -135.94 -57.04 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.556 ' N ' HG12 ' A' ' 34' ' ' VAL . 4.3 t0 -39.63 -30.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.354 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.438 ' N ' ' C ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER -105.43 -68.15 0.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.697 HD13 ' CE ' ' A' ' 44' ' ' MET . 97.7 mt -44.52 -56.33 4.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.8 OUTLIER 70.08 15.07 7.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.293 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.787 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -94.59 -18.57 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.333 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.579 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 3.3 t70 88.96 -170.57 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.524 1.14 . . . . 0.0 109.238 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.702 ' O ' HG23 ' A' ' 45' ' ' VAL . 73.4 m -89.53 3.87 51.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.998 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.54 -65.89 0.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.574 1.172 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.829 ' OG ' HG12 ' A' ' 19' ' ' VAL . 0.9 OUTLIER -63.38 -50.75 68.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.769 ' HE1' HG21 ' A' ' 20' ' ' THR . 0.3 OUTLIER -42.53 -42.89 3.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 111.018 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 41' ' ' SER . 2.6 t -52.88 -38.13 27.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.613 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -72.81 -53.05 12.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 110.293 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.77 HD11 HG23 ' A' ' 20' ' ' THR . 2.7 mt -45.92 -32.88 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.402 ' C ' ' N ' ' A' ' 50' ' ' GLN . . . -79.22 -51.36 9.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 109.346 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.613 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -46.98 -25.84 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.076 . . . . 0.0 109.27 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.553 ' NE2' HG23 ' A' ' 15' ' ' ILE . 40.8 mt-30 -90.02 -59.65 2.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.557 1.161 . . . . 0.0 110.239 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.9 m -52.05 -37.02 52.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.421 1.076 . . . . 0.0 110.421 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.563 ' HA ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -77.29 0.85 20.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.348 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -120.45 -63.12 1.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 50' ' ' GLN . 7.4 mttp -49.07 -41.08 34.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.442 ' OH ' ' CG ' ' A' ' 7' ' ' GLU . 0.6 OUTLIER -105.08 -44.02 4.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.932 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.5 26.57 10.73 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.525 1.14 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.563 HG22 ' HA ' ' A' ' 52' ' ' GLU . 7.8 m -55.9 -172.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.474 ' HE2' ' CB ' ' A' ' 80' ' ' LEU . 0.5 OUTLIER -135.48 107.74 7.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.347 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.777 HD11 HD11 ' A' ' 77' ' ' ILE . 24.0 mt -154.79 83.9 3.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 169.23 23.05 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.542 1.812 . . . . 0.0 110.991 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.67 -40.58 97.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -55.41 -17.77 5.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.354 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.598 ' CG ' ' CE2' ' A' ' 76' ' ' TYR . 0.4 OUTLIER -111.37 -32.74 6.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.701 HD13 ' O ' ' A' ' 64' ' ' LEU . 0.6 OUTLIER -58.64 -17.11 19.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.33 -33.41 55.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -82.0 -44.1 7.83 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.506 1.129 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.919 ' HB3' HG22 ' A' ' 73' ' ' VAL . 11.5 mt -39.88 111.97 0.23 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 0.778 . . . . 0.0 109.273 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.35 -38.12 5.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.335 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.988 ' O ' HG23 ' A' ' 73' ' ' VAL . 46.8 p -136.34 175.7 9.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.458 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.757 ' O ' HG23 ' A' ' 74' ' ' VAL . 5.3 t -57.75 -47.66 85.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 109.267 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -50.83 -39.13 38.84 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.455 1.097 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.511 ' C ' HD22 ' A' ' 67' ' ' LEU . 7.9 t0 -80.62 -30.71 36.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 0.782 . . . . 0.0 109.347 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.988 HG23 ' O ' ' A' ' 69' ' ' THR . 44.2 t -78.43 -13.62 13.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 1.039 HG13 HD12 ' A' ' 8' ' ' ILE . 93.5 t -97.03 -56.74 4.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 1.021 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -46.86 -56.26 6.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.309 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.904 ' CD2' HD21 ' A' ' 67' ' ' LEU . 1.9 m-30 -42.29 -28.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 110.951 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.777 HD11 HD11 ' A' ' 59' ' ' ILE . 5.3 mt -81.65 -77.42 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.414 1.071 . . . . 0.0 109.355 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 79' ' ' LYS . 45.9 mt-30 -49.33 -53.22 23.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.654 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 0.1 OUTLIER -39.28 -52.74 1.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.361 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.474 ' CB ' ' HE2' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -69.61 -48.76 58.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -44.73 -65.32 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.348 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -109.9 -98.27 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.269 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -153.98 -73.74 0.12 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.588 1.18 . . . . 0.0 110.286 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 8.0 t30 63.75 73.07 0.5 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 54.81 3.74 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.447 1.761 . . . . 0.0 111.021 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' ' 87' ' ' ALA . 0.8 OUTLIER -138.98 -66.66 0.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.427 1.079 . . . . 0.0 110.317 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.721 ' HB3' ' HB2' ' A' ' 91' ' ' LEU . . . 179.18 -71.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 1.021 ' HB2' ' HB2' ' A' ' 75' ' ' ALA . . . 174.74 86.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.78 ' NE2' HG11 ' A' ' 74' ' ' VAL . 9.2 pt20 30.9 56.53 0.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.286 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.624 ' HB2' ' O ' ' A' ' 89' ' ' GLN . . . 168.41 62.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.1 . . . . 0.0 109.228 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.721 ' HB2' ' HB3' ' A' ' 87' ' ' ALA . 0.0 OUTLIER -175.21 148.32 0.97 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.123 . . . . 0.0 109.333 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -158.52 48.99 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.276 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -166.57 -66.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.367 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -163.59 144.06 8.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.7 mp -41.24 -65.0 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.102 . . . . 0.0 109.261 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 98' ' ' GLU . 0.8 OUTLIER -67.18 -58.67 4.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 110.253 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.9 m -66.27 72.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.138 . . . . 0.0 109.964 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.457 ' HG2' HD21 ' A' ' 91' ' ' LEU . 14.9 mt-10 -48.41 156.7 0.4 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.576 1.172 . . . . 0.0 110.267 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 24.3 p-10 -51.59 137.69 32.05 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.627 ' O ' HG23 ' A' ' 103' ' ' VAL . 18.5 Cg_endo -74.99 56.03 4.12 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.48 1.779 . . . . 0.0 111.022 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.583 ' O ' ' HB3' ' A' ' 102' ' ' ALA . 11.1 t0 51.72 21.22 1.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.551 1.157 . . . . 0.0 109.336 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 101' ' ' ASP . . . 76.02 32.86 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 100' ' ' PRO . 47.3 t -101.95 166.9 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.203 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.515 ' N ' HG12 ' A' ' 103' ' ' VAL . . . 179.84 38.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.483 1.115 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.403 ' O ' ' O ' ' A' ' 104' ' ' ALA . 2.6 t-20 61.26 121.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 38.0 t -119.68 -5.31 10.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.22 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.551 ' O ' ' HB2' ' A' ' 108' ' ' ALA . 21.7 tt0 177.53 125.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.288 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.551 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . 172.84 40.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.19 65.78 1.35 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 110.343 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 8.4 tt -64.1 147.55 51.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.286 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -140.11 101.17 4.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.343 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -120.54 145.51 47.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 109.253 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 179.79 53.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.376 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.72 172.5 2.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 109.951 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 22.7 tttt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.243 -179.928 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.412 ' N ' ' HD3' ' A' ' 2' ' ' PRO . 28.8 mtt . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.484 0.183 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.412 ' HD3' ' N ' ' A' ' 1' ' ' MET . 18.2 Cg_endo -75.0 -162.98 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.484 1.781 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.567 HG22 HD11 ' A' ' 8' ' ' ILE . 7.5 p -142.51 52.3 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.479 ' N ' ' HB2' ' A' ' 7' ' ' GLU . 1.3 t -77.36 -176.57 4.22 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.493 1.121 . . . . 0.0 110.444 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.467 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 5.4 tp60 -53.21 -67.96 0.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.242 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.761 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -50.77 -19.83 1.08 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.442 1.089 . . . . 0.0 110.338 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.479 ' HB2' ' N ' ' A' ' 4' ' ' THR . 0.0 OUTLIER -74.79 -44.18 50.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 1.04 ' CD1' HG13 ' A' ' 74' ' ' VAL . 5.4 mt -92.79 -3.69 10.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.482 HD11 ' HB3' ' A' ' 29' ' ' PRO . 2.8 mt -106.03 -42.84 6.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.467 1.104 . . . . 0.0 109.201 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.761 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -91.74 -34.38 14.64 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.456 1.097 . . . . 0.0 109.342 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -71.09 -42.21 59.17 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.471 1.107 . . . . 0.0 110.954 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -74.33 -53.26 17.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.506 0.768 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -42.78 -46.2 5.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -56.92 -47.89 79.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.336 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.408 HG23 ' NE2' ' A' ' 50' ' ' GLN . 60.6 mt -64.45 -42.78 96.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.0 mt -53.09 -35.85 23.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.445 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 2.0 tm-20 -72.55 0.4 10.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 110.356 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.0 -42.89 4.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.719 HG12 ' OG ' ' A' ' 43' ' ' SER . 2.8 t -84.82 -65.06 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.585 HG23 HD11 ' A' ' 47' ' ' ILE . 68.8 p -76.08 -25.77 55.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.387 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 75.55 23.4 73.17 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.618 1.198 . . . . 0.0 111.005 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.502 HG22 ' N ' ' A' ' 23' ' ' GLU . 54.8 mt -84.66 165.34 2.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.533 0.784 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.502 ' N ' HG22 ' A' ' 22' ' ' ILE . 3.5 mt-10 -68.36 152.93 96.25 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.329 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -49.94 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.477 1.777 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.16 -23.88 65.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.037 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.451 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 2.3 tm-20 -60.52 -41.79 95.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 110.316 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.487 ' N ' ' CD1' ' A' ' 27' ' ' ILE . 0.7 OUTLIER -64.59 135.36 28.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.42 ' C ' ' H ' ' A' ' 30' ' ' GLU . 1.0 OUTLIER -145.07 165.16 23.23 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 110.431 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.482 ' HB3' HD11 ' A' ' 9' ' ' ILE . 18.5 Cg_endo -74.9 43.27 0.94 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.52 1.8 . . . . 0.0 111.032 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.42 ' H ' ' C ' ' A' ' 28' ' ' THR . 0.4 OUTLIER -141.11 9.32 2.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 110.322 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.443 ' O ' HG22 ' A' ' 69' ' ' THR . 0.3 OUTLIER -68.83 165.98 18.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 109.204 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.726 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -129.26 12.2 6.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 110.101 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.585 ' HA ' HD12 ' A' ' 37' ' ' LEU . 0.7 OUTLIER 78.18 -28.55 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 111.023 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.539 HG12 ' N ' ' A' ' 35' ' ' ASP . 0.9 OUTLIER -141.07 -58.56 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.539 ' N ' HG12 ' A' ' 34' ' ' VAL . 7.7 t70 -39.11 -31.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.442 ' N ' ' C ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -106.65 -65.83 1.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.259 -179.933 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 33' ' ' PHE . 81.3 mt -44.98 -52.5 8.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 34' ' ' VAL . 3.7 t0 64.03 16.41 9.92 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.687 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -99.21 -17.03 6.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 O-C-N 124.456 1.098 . . . . 0.0 109.294 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.555 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 5.6 t70 87.14 -170.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.155 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.759 ' O ' HG23 ' A' ' 45' ' ' VAL . 19.7 p -88.53 5.08 44.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 110.033 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.53 -68.4 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.25 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.719 ' OG ' HG12 ' A' ' 19' ' ' VAL . 23.1 t -64.67 -46.94 80.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.004 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.54 ' SD ' ' CE1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -46.7 -36.87 7.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 41' ' ' SER . 2.6 t -60.8 -33.89 57.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.607 ' CB ' HG11 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -73.04 -54.03 9.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.308 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.585 HD11 HG23 ' A' ' 20' ' ' THR . 3.8 mt -44.11 -40.71 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.855 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -72.67 -50.49 24.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 109.237 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.594 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -47.13 -26.07 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 54' ' ' LYS . 45.4 mt-30 -89.06 -59.86 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.9 m -51.65 -38.55 55.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 110.373 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.855 ' OE1' ' HB1' ' A' ' 48' ' ' ALA . 1.0 OUTLIER -74.99 -1.4 22.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.376 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.85 -63.25 1.45 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 0.0 109.334 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 50' ' ' GLN . 24.7 mttt -46.28 -42.14 14.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -103.89 -49.2 3.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.997 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 104.52 19.08 11.67 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.526 1.141 . . . . 0.0 111.036 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.446 ' CG2' ' HG3' ' A' ' 52' ' ' GLU . 2.7 m -57.45 156.32 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 0.76 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.99 101.12 12.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.577 ' O ' HG22 ' A' ' 59' ' ' ILE . 43.0 mt -149.92 70.02 9.31 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 169.07 23.44 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.483 1.781 . . . . 0.0 110.999 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.53 -40.81 65.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -52.88 -19.9 2.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.604 ' CG ' ' CD2' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -113.19 -33.94 5.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.273 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.533 HD13 ' O ' ' A' ' 64' ' ' LEU . 0.7 OUTLIER -60.74 -15.36 28.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -79.36 -38.68 34.45 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.125 . . . . 0.0 109.248 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -79.17 -43.92 10.24 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.525 1.141 . . . . 0.0 111.047 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.924 ' HB3' HG22 ' A' ' 73' ' ' VAL . 13.2 mt -39.8 109.76 0.12 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 0.754 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.36 -38.45 6.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 110.261 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.987 ' O ' HG23 ' A' ' 73' ' ' VAL . 46.7 p -135.94 173.72 11.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 110.408 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.642 ' O ' HG23 ' A' ' 74' ' ' VAL . 6.7 t -56.47 -49.32 77.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -49.36 -37.5 25.19 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.583 ' O ' HD22 ' A' ' 67' ' ' LEU . 1.9 t70 -81.83 -26.78 34.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 0.729 . . . . 0.0 109.231 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.987 HG23 ' O ' ' A' ' 69' ' ' THR . 29.8 t -82.99 -13.55 12.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.372 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 1.04 HG13 ' CD1' ' A' ' 8' ' ' ILE . 92.3 t -96.87 -52.9 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.25 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.985 ' HB2' ' CB ' ' A' ' 88' ' ' ALA . . . -52.03 -55.5 20.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.907 ' CD2' HD21 ' A' ' 67' ' ' LEU . 1.8 m-85 -42.07 -23.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 111.008 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.61 HD12 HD13 ' A' ' 8' ' ' ILE . 4.4 mt -82.59 -70.97 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.292 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.487 ' O ' ' N ' ' A' ' 81' ' ' GLU . 36.0 mt-30 -61.41 -52.17 65.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.851 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 4.0 mmtm -39.74 -53.41 2.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.444 ' HB2' ' O ' ' A' ' 76' ' ' TYR . 0.2 OUTLIER -58.72 -41.88 87.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.247 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 78' ' ' GLN . 0.3 OUTLIER -57.88 -47.65 82.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 110.299 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.531 ' O ' ' CG ' ' A' ' 83' ' ' GLU . 1.8 pt-20 -114.54 -104.52 0.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.531 ' CG ' ' O ' ' A' ' 82' ' ' GLU . 36.5 mt-10 -160.53 -79.07 0.05 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.508 ' N ' ' HD3' ' A' ' 85' ' ' PRO . 2.2 t30 60.42 59.94 3.87 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.416 1.072 . . . . 0.0 109.345 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.508 ' HD3' ' N ' ' A' ' 84' ' ' ASN . 18.2 Cg_endo -74.97 52.92 3.17 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.558 1.82 . . . . 0.0 110.986 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -141.36 -64.15 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.435 ' CB ' HD21 ' A' ' 91' ' ' LEU . . . -177.81 134.15 0.16 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.985 ' CB ' ' HB2' ' A' ' 75' ' ' ALA . . . -51.58 -176.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.692 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 0.3 OUTLIER -90.06 112.76 24.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.692 ' HB2' ' O ' ' A' ' 89' ' ' GLN . . . 162.45 -28.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.598 1.186 . . . . 0.0 109.26 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.672 ' H ' HD13 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -99.55 65.75 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.455 ' HG3' ' HB2' ' A' ' 102' ' ' ALA . 3.1 ptp180 -86.6 42.3 1.0 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.103 . . . . 0.0 110.26 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -155.39 -61.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.239 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.1 mttp -139.15 127.46 22.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.239 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 1.9 mp -61.44 -55.16 26.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.37 -46.86 46.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 110.337 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 m -86.36 63.75 8.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.007 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.417 ' OE1' HD12 ' A' ' 91' ' ' LEU . 3.3 mt-10 -51.42 132.23 29.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -174.69 116.37 0.32 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 72.19 4.75 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.56 1.821 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.667 ' O ' ' HB3' ' A' ' 102' ' ' ALA . 63.8 t0 -120.03 -59.8 1.76 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 101' ' ' ASP . . . 82.23 42.79 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.462 1.102 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.435 HG12 ' N ' ' A' ' 104' ' ' ALA . 21.7 t -152.1 164.64 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.59 1.181 . . . . 0.0 109.225 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.435 ' N ' HG12 ' A' ' 103' ' ' VAL . . . -176.08 -58.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.425 1.078 . . . . 0.0 109.351 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 106' ' ' VAL . 13.4 t30 60.08 154.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 109.321 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.796 HG13 ' N ' ' A' ' 107' ' ' GLN . 2.1 p -147.69 -149.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.796 ' N ' HG13 ' A' ' 106' ' ' VAL . 38.8 tt0 -167.25 115.59 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -174.59 47.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.42 1.075 . . . . 0.0 109.344 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.56 46.86 2.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 13.8 tp -121.67 138.53 54.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 0.0 109.402 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -139.9 113.64 8.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.286 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -155.88 127.28 7.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -167.98 -59.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.46 162.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 110.012 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.2 tptp . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.156 . . . . 0.0 109.256 179.982 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.1 mtm . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.535 0.207 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -164.46 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.456 1.766 . . . . 0.0 110.982 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.528 ' HB ' ' CE2' ' A' ' 55' ' ' TYR . 0.6 OUTLIER -113.56 164.87 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 109.336 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.459 HG23 ' N ' ' A' ' 5' ' ' GLN . 0.4 OUTLIER -174.24 171.16 3.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.083 . . . . 0.0 110.421 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.467 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 4.8 tp60 -48.66 -70.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.363 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.744 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -49.06 -20.58 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.414 ' N ' ' C ' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -74.62 -43.43 55.47 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 110.251 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 1.06 HD12 HG13 ' A' ' 74' ' ' VAL . 4.1 mt -93.47 -3.33 10.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.622 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.9 mt -106.13 -40.53 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.744 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -94.03 -36.94 11.89 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.96 -39.98 84.67 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.561 1.163 . . . . 0.0 110.956 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.466 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.1 mt -79.15 -53.07 14.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.481 0.753 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.622 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -40.39 -48.64 2.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -60.58 -42.78 97.41 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.473 1.108 . . . . 0.0 110.267 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.662 HG23 ' NE2' ' A' ' 50' ' ' GLN . 66.4 mt -65.3 -46.57 90.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.638 HD12 ' CG1' ' A' ' 27' ' ' ILE . 31.6 mt -53.6 -29.97 17.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.498 ' CG ' ' O ' ' A' ' 22' ' ' ILE . 0.5 OUTLIER -80.04 5.49 14.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.291 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -111.59 -45.24 3.39 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.813 HG12 ' OG ' ' A' ' 43' ' ' SER . 4.3 t -78.15 -59.7 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.453 1.096 . . . . 0.0 109.254 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.592 HG22 ' OG ' ' A' ' 43' ' ' SER . 29.3 p -85.08 -30.76 23.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 110.403 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.92 30.38 35.41 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.551 1.157 . . . . 0.0 111.055 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.498 ' O ' ' CG ' ' A' ' 17' ' ' GLU . 30.8 mt -90.03 165.83 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.766 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.488 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.5 OUTLIER -66.1 148.44 98.4 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.395 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.483 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 18.1 Cg_endo -75.09 -51.74 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.449 1.762 . . . . 0.0 110.9 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.58 -24.86 66.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 110.044 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -62.94 -43.87 97.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.345 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.638 ' CG1' HD12 ' A' ' 16' ' ' ILE . 0.8 OUTLIER -60.15 131.44 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.416 ' C ' ' H ' ' A' ' 30' ' ' GLU . 1.0 OUTLIER -147.58 164.99 20.01 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.392 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 43.67 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.54 1.81 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.416 ' H ' ' C ' ' A' ' 28' ' ' THR . 3.1 mm-40 -133.98 -24.78 1.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.333 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.476 ' O ' HG22 ' A' ' 69' ' ' THR . 1.3 mttt -44.23 166.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.693 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -123.06 13.01 9.69 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.112 . . . . 0.0 109.982 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.545 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.1 t80 79.42 -30.39 0.14 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 111.043 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.565 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -139.79 -58.2 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.565 ' N ' HG12 ' A' ' 34' ' ' VAL . 8.5 t70 -37.94 -33.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -103.12 -67.69 0.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.337 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.494 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 60.5 mt -41.96 -53.5 3.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.5 OUTLIER 66.21 14.92 9.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.701 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -96.64 -17.43 6.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.579 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 9.7 t0 89.29 -171.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.642 ' O ' HG23 ' A' ' 45' ' ' VAL . 17.0 p -87.35 -5.01 59.06 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.447 1.092 . . . . 0.0 110.002 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.12 -64.91 0.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.813 ' OG ' HG12 ' A' ' 19' ' ' VAL . 7.3 t -68.01 -49.88 58.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.164 . . . . 0.0 110.067 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.494 ' SD ' ' CD1' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -48.55 -30.32 5.15 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 41' ' ' SER . 1.4 t -64.42 -35.45 74.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.629 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.4 OUTLIER -70.73 -56.01 7.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.285 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.491 HD11 ' HA ' ' A' ' 16' ' ' ILE . 1.3 mt -41.82 -43.88 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.995 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -69.66 -47.86 61.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.629 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -48.23 -24.57 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.662 ' NE2' HG23 ' A' ' 15' ' ' ILE . 42.1 mt-30 -90.58 -60.64 1.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.3 m -51.78 -37.41 51.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.077 . . . . 0.0 110.436 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.995 ' OE1' ' HB1' ' A' ' 48' ' ' ALA . 9.5 mt-10 -76.16 -2.22 30.03 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.407 1.067 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -116.57 -60.52 1.84 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 50' ' ' GLN . 4.0 mtpt -40.97 -41.44 1.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.268 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.528 ' CE2' ' HB ' ' A' ' 3' ' ' VAL . 31.7 t80 -107.73 -49.45 3.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.949 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 109.94 21.21 7.18 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.742 HG22 ' HA ' ' A' ' 52' ' ' GLU . 19.5 m -57.14 149.21 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.295 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.53 103.45 15.39 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.483 1.114 . . . . 0.0 109.329 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.899 HD11 HG12 ' A' ' 77' ' ' ILE . 28.6 mt -148.1 73.64 11.07 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 0.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 169.32 22.87 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.478 1.778 . . . . 0.0 110.942 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.41 -40.76 75.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.359 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -50.14 -21.8 1.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.316 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.559 ' OD1' ' CD2' ' A' ' 76' ' ' TYR . 0.3 OUTLIER -113.82 -34.85 5.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.333 179.896 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.681 HD13 ' O ' ' A' ' 64' ' ' LEU . 0.8 OUTLIER -56.07 -18.89 10.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.29 -38.62 68.73 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.556 1.16 . . . . 0.0 109.335 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -75.09 -50.72 8.23 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.934 ' HB3' HG22 ' A' ' 73' ' ' VAL . 41.5 mt -39.44 119.73 0.98 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 0.776 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.92 -38.99 4.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.384 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.693 HG22 ' HA ' ' A' ' 32' ' ' SER . 70.8 p -133.45 160.73 36.55 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.504 1.128 . . . . 0.0 110.341 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.449 ' O ' HG23 ' A' ' 74' ' ' VAL . 21.7 t -45.74 -52.78 2.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 109.262 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -46.45 -33.98 6.26 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.431 1.082 . . . . 0.0 111.058 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.59 ' C ' HD22 ' A' ' 67' ' ' LEU . 9.1 t0 -84.01 -35.01 24.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 0.76 . . . . 0.0 109.356 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.934 HG22 ' HB3' ' A' ' 67' ' ' LEU . 24.0 t -72.74 -16.08 17.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 1.06 HG13 HD12 ' A' ' 8' ' ' ILE . 69.8 t -94.32 -57.74 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.376 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.778 ' HB2' ' HB1' ' A' ' 88' ' ' ALA . . . -46.01 -55.32 7.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.903 ' CG ' HD21 ' A' ' 67' ' ' LEU . 1.5 m-85 -43.85 -23.61 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 0.0 111.023 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.899 HG12 HD11 ' A' ' 59' ' ' ILE . 8.6 mt -83.61 -70.65 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.358 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.471 ' O ' ' N ' ' A' ' 81' ' ' GLU . 66.2 mt-30 -59.67 -52.84 63.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.718 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 1.2 mmtm -41.77 -48.12 4.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.583 1.177 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.465 HD12 ' O ' ' A' ' 76' ' ' TYR . 0.1 OUTLIER -56.06 -43.81 78.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 109.258 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 78' ' ' GLN . 2.5 mm-40 -61.8 -77.36 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.439 1.087 . . . . 0.0 110.238 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.431 ' CB ' ' O ' ' A' ' 81' ' ' GLU . 0.6 OUTLIER 166.13 90.66 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.401 ' HB2' ' NZ ' ' A' ' 79' ' ' LYS . 33.7 mt-10 -141.43 -78.67 0.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 110.256 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.415 ' O ' ' CD ' ' A' ' 79' ' ' LYS . 2.8 t30 -124.48 88.77 52.94 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 53.34 3.3 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.5 1.789 . . . . 0.0 111.008 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.473 ' HG3' ' CD1' ' A' ' 95' ' ' ILE . 4.7 tp10 -133.35 -72.52 0.5 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.713 ' HB2' ' CD1' ' A' ' 95' ' ' ILE . . . -127.95 -93.63 0.45 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.471 1.107 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.778 ' HB1' ' HB2' ' A' ' 75' ' ' ALA . . . -160.5 178.94 9.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.485 HE21 HG11 ' A' ' 74' ' ' VAL . 1.5 pt20 -89.13 51.81 2.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.32 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 91' ' ' LEU . . . -166.58 -42.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.719 HD11 ' HA ' ' A' ' 98' ' ' GLU . 0.2 OUTLIER -39.38 138.07 0.71 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 -179.889 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.682 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 6.0 ptp180 -161.58 59.4 0.27 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.682 ' HB2' ' O ' ' A' ' 92' ' ' ARG . . . 163.89 73.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.9 mtmt 68.26 136.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.289 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.713 ' CD1' ' HB2' ' A' ' 87' ' ' ALA . 28.8 mm -57.33 -79.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 95' ' ' ILE . 0.4 OUTLIER -38.51 -48.27 1.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.374 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.2 m -75.39 69.27 2.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 110.022 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.719 ' HA ' HD11 ' A' ' 91' ' ' LEU . 31.4 mt-10 -68.55 132.71 47.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.436 1.085 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 177.43 101.06 0.12 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 56.2 4.16 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.532 1.806 . . . . 0.0 111.045 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.506 ' O ' ' HB3' ' A' ' 102' ' ' ALA . 2.4 t0 -169.33 -49.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.506 ' HB3' ' O ' ' A' ' 101' ' ' ASP . . . 71.53 33.89 1.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 109.25 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.713 HG13 ' N ' ' A' ' 104' ' ' ALA . 1.1 p -122.98 -158.2 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.093 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.713 ' N ' HG13 ' A' ' 103' ' ' VAL . . . -176.52 -58.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.25 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.6 t30 168.62 166.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.0 t -137.81 166.29 24.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.337 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.686 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 46.1 tt0 178.54 148.79 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.334 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.686 ' HB3' ' O ' ' A' ' 107' ' ' GLN . . . 84.62 52.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.26 23.74 1.31 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.429 1.081 . . . . 0.0 110.263 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.9 tt -85.95 143.04 28.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -138.46 -147.97 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 110.321 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -164.87 176.66 8.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 176.04 57.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.595 1.185 . . . . 0.0 110.331 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 51.9 p -88.0 83.23 7.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.061 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.519 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 120.546 0.212 . . . . 0.0 111.01 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.519 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.3 Cg_endo -74.9 -51.06 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.474 1.776 . . . . 0.0 111.04 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.693 ' O ' HG13 ' A' ' 3' ' ' VAL . 8.0 p -114.77 96.72 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.33 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.473 HG23 ' N ' ' A' ' 5' ' ' GLN . 1.5 t -93.81 -172.63 2.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.135 . . . . 0.0 110.395 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.473 ' N ' HG23 ' A' ' 4' ' ' THR . 3.5 tp60 -63.58 -61.68 2.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.303 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.792 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.1 OUTLIER -53.01 -17.46 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.36 -45.37 32.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 1.083 ' CD1' HG13 ' A' ' 74' ' ' VAL . 8.2 mt -91.94 -3.56 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.246 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.5 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.9 mt -105.89 -42.28 6.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.792 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -92.45 -34.68 14.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.97 -40.34 62.76 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.442 1.089 . . . . 0.0 111.003 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -76.9 -53.17 15.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.51 0.771 . . . . 0.0 109.275 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -41.44 -47.52 3.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -57.75 -48.11 80.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.331 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.1 mt -62.62 -41.31 91.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.633 HG23 ' OG1' ' A' ' 20' ' ' THR . 5.2 mt -53.8 -31.1 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.278 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -77.55 2.24 17.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 110.235 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -107.19 -59.11 1.86 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 110.347 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.885 HG12 ' OG ' ' A' ' 43' ' ' SER . 19.4 t -79.26 -64.87 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.75 HG22 HG13 ' A' ' 39' ' ' ILE . 0.0 OUTLIER -63.63 -37.8 88.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.388 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 16' ' ' ILE . . . 81.96 21.07 61.89 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.526 1.141 . . . . 0.0 111.038 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.736 HD12 ' HB ' ' A' ' 20' ' ' THR . 12.1 mt -89.64 166.43 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.598 0.823 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.509 ' N ' HG22 ' A' ' 22' ' ' ILE . 1.0 OUTLIER -71.0 151.84 94.98 Favored Pre-proline 0 C--N 1.326 -0.415 0 O-C-N 124.483 1.114 . . . . 0.0 110.319 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -49.35 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.471 1.774 . . . . 0.0 110.959 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.44 -26.19 65.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 110.036 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.435 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -62.84 -44.46 96.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.098 . . . . 0.0 110.334 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.87 ' O ' HG23 ' A' ' 28' ' ' THR . 0.6 OUTLIER -56.72 156.03 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.87 HG23 ' O ' ' A' ' 27' ' ' ILE . 0.6 OUTLIER -166.76 167.09 8.27 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.363 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.455 ' HA ' ' HB ' ' A' ' 70' ' ' VAL . 18.2 Cg_endo -75.01 2.0 7.12 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.521 1.801 . . . . 0.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.03 -5.15 55.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.309 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -68.09 162.94 23.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.778 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -118.96 14.25 13.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.163 . . . . 0.0 109.977 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.603 ' CE2' ' SD ' ' A' ' 44' ' ' MET . 1.0 OUTLIER 79.78 -33.77 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.998 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.565 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -136.22 -57.7 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.565 ' N ' HG12 ' A' ' 34' ' ' VAL . 13.8 t0 -37.12 -35.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -101.55 -67.61 0.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.367 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.592 HD12 ' O ' ' A' ' 33' ' ' PHE . 50.0 mt -38.96 -51.26 1.79 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 109.393 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER 65.37 12.67 8.28 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.75 HG13 HG22 ' A' ' 20' ' ' THR . 0.2 OUTLIER -90.87 -19.26 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.265 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.525 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 1.1 t70 83.99 -163.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.707 ' O ' HG23 ' A' ' 45' ' ' VAL . 46.7 p -91.2 5.76 47.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.977 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.01 -72.06 0.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.118 . . . . 0.0 109.392 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.885 ' OG ' HG12 ' A' ' 19' ' ' VAL . 12.6 t -63.64 -44.62 93.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.981 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.603 ' SD ' ' CE2' ' A' ' 33' ' ' PHE . 0.1 OUTLIER -47.82 -38.95 17.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.924 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.707 HG23 ' O ' ' A' ' 41' ' ' SER . 2.7 t -60.9 -30.74 48.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.575 1.172 . . . . 0.0 109.286 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.768 ' CB ' HG11 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -76.84 -51.37 11.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.365 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.564 HD11 ' OG1' ' A' ' 20' ' ' THR . 2.9 mt -55.52 -24.27 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.627 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -87.58 -44.73 11.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.615 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -49.18 -26.32 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 54' ' ' LYS . 57.2 mt-30 -89.68 -60.35 1.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -52.19 -36.86 53.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.364 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.627 ' OE1' ' HB1' ' A' ' 48' ' ' ALA . 11.9 mt-10 -76.66 -1.57 28.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.401 1.063 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.42 -59.75 1.9 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 50' ' ' GLN . 11.6 mtpp -41.35 -40.66 1.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.132 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.53 ' CE2' ' HB ' ' A' ' 3' ' ' VAL . 33.5 t80 -110.38 -53.72 2.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.093 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 112.3 38.78 1.31 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.615 HG22 ' HA ' ' A' ' 52' ' ' GLU . 17.6 m -76.01 149.21 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 0.767 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.61 112.04 24.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.343 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.705 ' O ' HG22 ' A' ' 59' ' ' ILE . 59.8 mt -145.03 67.61 13.51 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.133 . . . . 0.0 109.203 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 171.47 18.27 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.436 1.756 . . . . 0.0 110.969 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.28 -40.86 62.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -50.08 -21.98 1.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.306 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.503 ' CG ' ' CD2' ' A' ' 76' ' ' TYR . 0.6 OUTLIER -114.62 -36.46 4.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.685 HD13 ' O ' ' A' ' 64' ' ' LEU . 0.5 OUTLIER -59.35 -16.55 23.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.367 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.79 -39.97 42.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.93 -43.4 9.94 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.55 1.156 . . . . 0.0 110.963 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.902 HD21 ' CD2' ' A' ' 76' ' ' TYR . 24.5 mt -44.54 118.29 1.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 0.744 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.33 -39.02 4.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.332 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.861 ' O ' HG23 ' A' ' 73' ' ' VAL . 20.4 p -135.9 177.36 7.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.593 1.183 . . . . 0.0 110.415 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.543 HG12 ' CG2' ' A' ' 74' ' ' VAL . 4.1 t -57.15 -55.97 17.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.236 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -44.17 -29.13 1.52 Allowed Glycine 0 CA--C 1.529 0.911 0 O-C-N 124.584 1.178 . . . . 0.0 111.025 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.627 ' C ' HD22 ' A' ' 67' ' ' LEU . 9.5 t0 -88.82 -40.35 13.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 0.738 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.889 HG22 ' HB3' ' A' ' 67' ' ' LEU . 21.9 t -72.59 -14.53 17.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.399 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 1.083 HG13 ' CD1' ' A' ' 8' ' ' ILE . 77.3 t -96.48 -57.11 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.716 ' HB2' ' HB1' ' A' ' 88' ' ' ALA . . . -48.43 -55.1 11.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.357 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.902 ' CD2' HD21 ' A' ' 67' ' ' LEU . 1.7 m-85 -42.82 -24.95 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.793 HD12 HD13 ' A' ' 8' ' ' ILE . 6.6 mt -81.38 -55.67 7.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.601 1.188 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 81' ' ' GLU . 64.4 mt-30 -66.68 -50.63 62.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.098 . . . . 0.0 110.352 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.93 -53.09 3.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.416 1.073 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.07 -40.66 85.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 78' ' ' GLN . 1.3 mt-10 -62.45 -53.17 58.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.379 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.512 ' O ' ' CG ' ' A' ' 83' ' ' GLU . 1.4 pt-20 -113.21 -101.89 0.41 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.507 1.129 . . . . 0.0 110.21 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 82' ' ' GLU . 34.4 mt-10 -159.9 -73.77 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 110.34 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.442 ' CB ' ' O ' ' A' ' 83' ' ' GLU . 8.1 t30 77.44 74.6 0.17 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 55.29 3.95 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.48 1.779 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.742 ' O ' ' HB2' ' A' ' 87' ' ' ALA . 5.3 tp10 -137.57 -72.93 0.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.154 . . . . 0.0 110.246 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.742 ' HB2' ' O ' ' A' ' 86' ' ' GLU . . . 158.07 65.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.716 ' HB1' ' HB2' ' A' ' 75' ' ' ALA . . . 61.79 125.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.666 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 12.3 pt20 -40.94 143.57 0.36 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.666 ' HB3' ' O ' ' A' ' 89' ' ' GLN . . . 82.45 46.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.553 1.158 . . . . 0.0 109.31 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.567 ' HG ' ' HB3' ' A' ' 87' ' ' ALA . 2.7 tm? -133.81 136.45 44.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.428 1.08 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.407 ' N ' HD13 ' A' ' 91' ' ' LEU . 0.7 OUTLIER -176.74 57.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.35 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -164.27 -70.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.3 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.87 132.85 24.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.366 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.428 HG13 ' HB2' ' A' ' 87' ' ' ALA . 1.7 mp -58.96 -37.13 65.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -80.7 -62.6 1.62 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.562 1.164 . . . . 0.0 110.296 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.8 m -77.25 71.2 3.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.019 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -45.73 144.77 1.57 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 33.8 t30 -153.26 112.51 2.64 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.425 ' O ' ' O ' ' A' ' 101' ' ' ASP . 18.4 Cg_endo -74.98 61.65 5.69 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.53 1.805 . . . . 0.0 111.009 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.425 ' O ' ' O ' ' A' ' 100' ' ' PRO . 3.1 t70 60.51 142.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 103' ' ' VAL . . . -179.35 40.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 109.279 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.785 HG13 ' N ' ' A' ' 104' ' ' ALA . 0.4 OUTLIER 39.24 -158.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.1 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.785 ' N ' HG13 ' A' ' 103' ' ' VAL . . . -162.52 -63.38 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.5 p30 173.52 125.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.255 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.45 HG12 ' N ' ' A' ' 107' ' ' GLN . 10.4 t -108.52 168.33 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.45 ' N ' HG12 ' A' ' 106' ' ' VAL . 28.7 tt0 -153.68 97.14 2.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.269 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -170.97 45.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.52 48.83 1.79 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.402 1.064 . . . . 0.0 110.36 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 43.0 tp -112.83 139.31 48.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -140.58 108.01 5.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.43 1.082 . . . . 0.0 110.365 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -158.53 132.93 8.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -168.93 -41.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.152 . . . . 0.0 110.282 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 59.78 -179.35 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.967 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 14.8 tttp . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.34 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.489 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.541 0.21 . . . . 0.0 111.003 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.489 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.4 Cg_endo -74.97 -1.87 11.78 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.462 1.769 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.73 ' O ' HG13 ' A' ' 3' ' ' VAL . 7.1 p -136.98 61.12 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.262 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.71 HG22 ' OE1' ' A' ' 7' ' ' GLU . 1.1 t -79.95 -177.08 5.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 110.387 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.457 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 4.2 tp60 -53.77 -67.0 0.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.762 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -51.1 -19.71 1.21 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.419 1.075 . . . . 0.0 110.315 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.71 ' OE1' HG22 ' A' ' 4' ' ' THR . 0.0 OUTLIER -75.17 -42.82 55.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 1.044 ' CD1' HG13 ' A' ' 74' ' ' VAL . 4.8 mt -94.08 -3.92 10.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.582 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.9 mt -106.21 -42.18 6.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.762 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -93.0 -36.42 12.74 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.79 -43.03 76.95 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.54 1.15 . . . . 0.0 111.029 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -75.71 -53.25 16.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.485 0.756 . . . . 0.0 109.221 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.582 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -41.7 -46.44 3.76 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 109.27 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -58.16 -46.56 85.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.439 ' CG2' ' HA ' ' A' ' 47' ' ' ILE . 34.0 mt -64.75 -45.07 96.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.514 HG22 ' HB ' ' A' ' 22' ' ' ILE . 17.5 mt -53.19 -32.35 18.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.112 . . . . 0.0 109.247 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.515 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 2.2 tm-20 -78.18 4.99 11.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.573 1.171 . . . . 0.0 110.359 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 15' ' ' ILE . 0.9 OUTLIER -112.25 -43.92 3.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.308 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.816 HG12 ' OG ' ' A' ' 43' ' ' SER . 3.0 t -82.03 -56.76 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.607 HG23 HD11 ' A' ' 47' ' ' ILE . 18.0 p -88.34 -23.45 23.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.425 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.4 20.29 77.16 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.516 HG22 ' N ' ' A' ' 23' ' ' GLU . 64.5 mt -75.86 166.52 2.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.413 0.714 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.516 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -70.82 150.31 95.18 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.333 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -49.23 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.52 1.8 . . . . 0.0 110.985 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.5 -20.64 63.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 110.015 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.437 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 2.2 tt0 -65.67 -51.58 58.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.262 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.509 HG12 HD12 ' A' ' 16' ' ' ILE . 0.8 OUTLIER -53.95 128.5 13.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 109.37 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.437 ' C ' ' H ' ' A' ' 30' ' ' GLU . 1.0 OUTLIER -140.67 165.32 30.61 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 0.0 110.465 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.453 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 18.2 Cg_endo -75.03 42.24 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.479 1.778 . . . . 0.0 110.964 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.437 ' H ' ' C ' ' A' ' 28' ' ' THR . 1.9 mm-40 -136.66 5.31 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.416 ' HB2' HG23 ' A' ' 70' ' ' VAL . 0.3 OUTLIER -67.06 167.15 12.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.242 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.952 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -128.49 14.37 6.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.983 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.741 ' CD1' ' HE2' ' A' ' 44' ' ' MET . 1.3 t80 81.18 -38.38 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 111.076 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.532 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -137.65 -55.37 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.532 ' N ' HG12 ' A' ' 34' ' ' VAL . 8.7 t70 -38.23 -31.4 0.05 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -106.95 -68.05 0.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.515 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 58.5 mt -41.8 -55.83 2.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.81 12.18 8.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.35 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.67 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -94.06 -17.88 7.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.533 1.145 . . . . 0.0 109.268 -179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.583 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 11.4 t0 89.53 -172.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.651 ' O ' HG23 ' A' ' 45' ' ' VAL . 90.0 p -89.48 -3.07 58.53 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 109.978 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.73 -63.51 1.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.816 ' OG ' HG12 ' A' ' 19' ' ' VAL . 8.2 t -65.85 -55.34 17.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 109.952 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.741 ' HE2' ' CD1' ' A' ' 33' ' ' PHE . 11.4 mmm -43.97 -38.03 3.26 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.475 1.109 . . . . 0.0 110.993 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 41' ' ' SER . 1.4 t -54.63 -37.85 40.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.275 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.463 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -72.15 -52.96 14.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.424 1.078 . . . . 0.0 110.313 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.607 HD11 HG23 ' A' ' 20' ' ' THR . 1.6 mt -40.35 -43.55 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.467 1.104 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.635 ' HB1' ' OE2' ' A' ' 52' ' ' GLU . . . -74.92 -51.13 14.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.463 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -45.93 -26.34 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.425 1.078 . . . . 0.0 109.285 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.421 ' O ' ' N ' ' A' ' 54' ' ' LYS . 45.2 mt-30 -88.05 -60.82 1.86 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 1.143 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.541 ' O ' HG23 ' A' ' 57' ' ' VAL . 1.0 OUTLIER -51.96 -38.72 57.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 0.0 110.43 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.635 ' OE2' ' HB1' ' A' ' 48' ' ' ALA . 0.8 OUTLIER -73.81 -1.7 20.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.72 -64.96 1.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.563 1.165 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 50' ' ' GLN . 13.8 mttt -45.48 -40.75 8.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.241 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -103.63 -43.47 5.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.11 . . . . 0.0 111.025 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.7 36.28 5.11 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.426 1.079 . . . . 0.0 111.015 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.729 HG12 ' H ' ' A' ' 58' ' ' LYS . 2.1 t -65.05 -176.79 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.583 0.814 . . . . 0.0 109.356 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.729 ' H ' HG12 ' A' ' 57' ' ' VAL . 0.6 OUTLIER -130.29 100.01 5.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.77 HD11 HG12 ' A' ' 77' ' ' ILE . 24.1 mt -153.49 76.89 6.08 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 170.47 20.34 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.504 1.792 . . . . 0.0 110.981 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.01 -40.51 89.52 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 0.0 109.211 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -50.76 -21.41 1.63 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.149 . . . . 0.0 110.316 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.599 ' CG ' ' CE2' ' A' ' 76' ' ' TYR . 0.7 OUTLIER -113.06 -34.15 5.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.612 HD13 ' O ' ' A' ' 64' ' ' LEU . 1.1 tm? -56.57 -18.26 11.23 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.36 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.92 -41.39 59.76 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -72.16 -45.92 37.75 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 0.0 110.948 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.949 HD21 ' CD2' ' A' ' 76' ' ' TYR . 21.1 mt -40.82 124.52 2.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 0.765 . . . . 0.0 109.291 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.14 -40.88 3.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.41 1.069 . . . . 0.0 110.291 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.952 HG22 ' HA ' ' A' ' 32' ' ' SER . 37.9 p -136.9 168.36 19.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.389 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.851 ' O ' HG23 ' A' ' 74' ' ' VAL . 12.9 t -48.89 -45.86 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.16 . . . . 0.0 109.352 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -53.57 -36.74 54.84 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.443 1.089 . . . . 0.0 110.959 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.63 ' O ' HD22 ' A' ' 67' ' ' LEU . 4.2 t0 -82.61 -33.6 27.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.39 0.7 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.906 HG22 ' HB3' ' A' ' 67' ' ' LEU . 21.8 t -75.57 -14.31 15.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 1.044 HG13 ' CD1' ' A' ' 8' ' ' ILE . 94.5 t -95.2 -56.46 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.15 . . . . 0.0 109.278 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.966 ' HB2' ' CB ' ' A' ' 88' ' ' ALA . . . -45.29 -56.79 4.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.113 . . . . 0.0 109.348 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.949 ' CD2' HD21 ' A' ' 67' ' ' LEU . 1.4 m-30 -43.11 -25.67 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 111.045 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.77 HG12 HD11 ' A' ' 59' ' ' ILE . 5.4 mt -79.91 -77.12 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.348 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 79' ' ' LYS . 40.4 mt-30 -54.87 -50.96 67.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.83 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 0.3 OUTLIER -39.21 -52.89 1.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.457 ' CB ' ' HE2' ' A' ' 58' ' ' LYS . 0.2 OUTLIER -72.14 -45.52 60.2 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.98 -60.28 3.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 110.33 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -112.23 -98.37 0.42 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -155.2 -73.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.327 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 4.9 t30 66.73 65.93 0.72 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 54.2 3.57 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.56 1.821 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -140.54 -62.57 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 110.326 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.418 ' CB ' ' HG ' ' A' ' 91' ' ' LEU . . . -173.29 -96.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.23 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.966 ' CB ' ' HB2' ' A' ' 75' ' ' ALA . . . -168.48 57.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.234 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.69 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 1.2 pt20 29.81 70.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.69 ' HB2' ' O ' ' A' ' 89' ' ' GLN . . . 163.75 44.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.848 HD22 ' N ' ' A' ' 92' ' ' ARG . 0.0 OUTLIER -134.3 174.79 10.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 109.335 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.848 ' N ' HD22 ' A' ' 91' ' ' LEU . 2.2 ptp180 -163.34 79.85 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.688 ' HB3' ' O ' ' A' ' 92' ' ' ARG . . . 83.52 45.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.596 ' H ' HD23 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -146.23 177.48 8.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 109.355 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.467 ' HA ' HD13 ' A' ' 95' ' ' ILE . 16.2 mm -123.36 -56.54 2.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.26 -78.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.334 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 172.46 118.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 110.077 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 99' ' ' ASN . 0.2 OUTLIER 63.5 135.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.412 ' N ' ' HG3' ' A' ' 98' ' ' GLU . 62.3 t30 -124.07 126.98 25.5 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.249 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 70.55 5.24 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.488 1.783 . . . . 0.0 111.051 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -96.91 -49.65 4.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.516 1.135 . . . . 0.0 109.252 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -178.75 56.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 11.2 t -92.68 5.51 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -137.65 -62.58 0.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 39.2 t30 61.0 157.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.223 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.652 HG12 ' H ' ' A' ' 107' ' ' GLN . 1.3 t -118.59 -160.29 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.652 ' H ' HG12 ' A' ' 106' ' ' VAL . 0.1 OUTLIER -104.15 -152.51 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -109.46 18.17 20.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.345 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? 39.36 60.12 1.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 23.5 tp -106.65 152.97 23.06 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -135.4 -148.24 0.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.266 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -176.68 142.87 0.43 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.123 . . . . 0.0 109.346 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -151.66 41.83 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.398 1.061 . . . . 0.0 110.274 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.0 m -111.17 156.85 20.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.032 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.0 ttpp . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 -179.994 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.516 0.198 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 178.35 7.39 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.421 1.748 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.515 ' HB ' ' CZ ' ' A' ' 55' ' ' TYR . 1.2 p -97.57 166.18 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.522 HG23 ' N ' ' A' ' 5' ' ' GLN . 0.3 OUTLIER -178.99 172.43 1.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.61 1.194 . . . . 0.0 110.368 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.522 ' N ' HG23 ' A' ' 4' ' ' THR . 5.1 tp60 -49.23 -70.67 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.308 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.746 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -49.48 -20.43 0.72 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 0.0 110.33 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 5' ' ' GLN . 0.1 OUTLIER -74.65 -42.28 58.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.328 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 1.081 ' CD1' HG13 ' A' ' 74' ' ' VAL . 4.4 mt -95.0 -3.23 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.563 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.9 mt -106.69 -41.08 5.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.746 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -95.18 -35.86 11.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.589 1.181 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.7 -39.41 77.41 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.488 1.117 . . . . 0.0 111.038 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.405 ' HB ' ' O ' ' A' ' 8' ' ' ILE . 0.7 OUTLIER -79.94 -53.3 13.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.435 0.727 . . . . 0.0 109.279 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.563 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -42.85 -50.0 5.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.51 -45.06 85.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.57 1.169 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.474 HG22 ' CG1' ' A' ' 47' ' ' ILE . 91.3 mt -63.98 -45.22 97.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.541 ' HA ' HD11 ' A' ' 47' ' ' ILE . 6.7 mt -53.72 -33.78 23.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.52 0.71 13.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.348 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -106.42 -44.15 4.58 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.155 . . . . 0.0 110.267 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.801 HG12 ' OG ' ' A' ' 43' ' ' SER . 3.1 t -83.27 -67.41 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.418 HG22 ' CB ' ' A' ' 43' ' ' SER . 67.7 p -75.51 -20.84 58.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 110.429 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 70.79 22.33 78.17 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.514 HG22 ' N ' ' A' ' 23' ' ' GLU . 61.7 mt -80.53 166.48 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.758 . . . . 0.0 109.306 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.514 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -69.38 151.17 96.94 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.282 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.415 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 18.2 Cg_endo -74.99 -49.61 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.556 1.819 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.54 -25.81 66.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.574 1.171 . . . . 0.0 109.986 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.442 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 4.1 tt0 -62.14 -45.15 94.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.32 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.572 ' O ' HG23 ' A' ' 28' ' ' THR . 0.7 OUTLIER -61.72 142.81 15.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 0.0 109.35 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 27' ' ' ILE . 0.1 OUTLIER -159.85 170.17 9.14 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.369 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.414 ' HA ' ' HB ' ' A' ' 70' ' ' VAL . 18.2 Cg_endo -75.0 42.62 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.477 1.777 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.436 ' H ' ' C ' ' A' ' 28' ' ' THR . 2.9 mm-40 -129.36 -25.34 2.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.281 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.485 ' O ' HG22 ' A' ' 69' ' ' THR . 2.4 mttt -43.34 159.91 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.569 1.168 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.718 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -121.69 14.46 10.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.94 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.597 ' CE1' ' SD ' ' A' ' 44' ' ' MET . 1.0 OUTLIER 80.01 -30.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.99 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.558 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -143.18 -57.17 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.574 1.171 . . . . 0.0 109.256 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.558 ' N ' HG12 ' A' ' 34' ' ' VAL . 3.3 t70 -37.78 -32.4 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 109.227 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -106.4 -67.73 0.92 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.49 1.119 . . . . 0.0 109.321 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' A' ' 33' ' ' PHE . 80.3 mt -43.51 -51.16 6.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 34' ' ' VAL . 1.2 t0 61.67 16.47 7.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.637 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -98.33 -15.28 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.54 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 15.0 t0 85.76 -170.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.605 ' O ' HG23 ' A' ' 45' ' ' VAL . 54.8 p -88.68 1.78 54.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.046 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.08 -65.49 0.69 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.801 ' OG ' HG12 ' A' ' 19' ' ' VAL . 11.6 t -68.1 -48.73 64.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.96 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.597 ' SD ' ' CE1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -49.44 -28.75 5.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 111.008 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 41' ' ' SER . 1.3 t -66.76 -35.01 73.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.6 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -69.4 -55.9 8.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.138 . . . . 0.0 110.343 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.541 HD11 ' HA ' ' A' ' 16' ' ' ILE . 1.5 mt -43.4 -45.45 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.03 -50.18 62.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.6 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -48.19 -25.39 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 54' ' ' LYS . 49.8 mt-30 -89.55 -60.21 2.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.416 1.072 . . . . 0.0 110.271 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.465 HG22 HG21 ' A' ' 57' ' ' VAL . 3.0 m -51.66 -38.22 53.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.458 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.7 ' HA ' HG22 ' A' ' 57' ' ' VAL . 15.2 mt-10 -75.34 -1.87 25.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 0.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.17 -61.03 1.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' GLN . 2.7 mtpt -41.72 -42.27 2.53 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.412 1.07 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.515 ' CZ ' ' HB ' ' A' ' 3' ' ' VAL . 35.4 t80 -108.66 -53.78 2.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 114.75 27.98 3.09 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.432 1.083 . . . . 0.0 111.0 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.7 HG22 ' HA ' ' A' ' 52' ' ' GLU . 19.5 m -61.23 148.69 9.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.439 0.729 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.8 105.26 16.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.589 HD11 HD11 ' A' ' 77' ' ' ILE . 10.1 mt -148.12 75.68 10.6 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 169.7 22.04 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.49 1.784 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.85 -40.54 80.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.34 -25.33 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.376 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.712 ' CB ' ' CE2' ' A' ' 76' ' ' TYR . 0.1 OUTLIER -112.95 -39.67 4.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.335 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.521 HD11 ' CZ ' ' A' ' 33' ' ' PHE . 0.7 OUTLIER -50.58 -22.9 2.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.04 -42.14 69.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.127 . . . . 0.0 109.362 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -74.69 -46.76 17.2 Favored Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.487 1.117 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.924 ' HB3' HG22 ' A' ' 73' ' ' VAL . 8.6 mt -39.41 125.34 1.69 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 109.328 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.82 -41.52 3.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 110.352 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.735 ' O ' HG23 ' A' ' 73' ' ' VAL . 70.6 p -131.69 165.57 23.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.38 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.94 ' O ' HG23 ' A' ' 74' ' ' VAL . 11.6 t -51.6 -44.83 35.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -51.84 -33.81 36.21 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.553 1.158 . . . . 0.0 110.996 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -84.8 -33.05 23.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 0.743 . . . . 0.0 109.324 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.924 HG22 ' HB3' ' A' ' 67' ' ' LEU . 13.8 t -78.0 -11.66 13.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.559 1.162 . . . . 0.0 109.283 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 1.081 HG13 ' CD1' ' A' ' 8' ' ' ILE . 64.0 t -96.75 -56.62 5.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 1.079 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -44.81 -57.22 3.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.712 ' CE2' ' CB ' ' A' ' 63' ' ' ASP . 2.2 t80 -43.3 -27.46 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 111.059 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.63 HD12 HD13 ' A' ' 8' ' ' ILE . 4.7 mt -81.55 -76.52 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 79' ' ' LYS . 46.3 mt-30 -49.88 -53.06 28.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.549 1.155 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.524 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 12.6 mmmm -39.96 -52.99 2.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.04 -42.82 72.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.53 -63.64 1.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -114.1 -98.62 0.43 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -152.75 -72.61 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 110.317 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 26.8 t30 63.65 74.27 0.44 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 54.52 3.69 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.547 1.814 . . . . 0.0 110.991 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.477 ' O ' HG23 ' A' ' 95' ' ' ILE . 0.6 OUTLIER -139.34 -69.15 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.252 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.471 ' O ' ' HB2' ' A' ' 88' ' ' ALA . . . -176.96 -77.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 1.079 ' HB2' ' HB2' ' A' ' 75' ' ' ALA . . . 177.07 51.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.09 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.635 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 0.0 OUTLIER 38.3 90.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.16 . . . . 0.0 110.341 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.635 ' HB2' ' O ' ' A' ' 89' ' ' GLN . . . 167.92 -51.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.31 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.475 ' N ' ' CD1' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -44.24 156.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.229 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.424 ' HB3' ' NH1' ' A' ' 92' ' ' ARG . 5.3 ptp180 -167.83 46.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.578 1.174 . . . . 0.0 110.338 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.568 ' HB2' ' HB3' ' A' ' 102' ' ' ALA . . . -173.76 -50.92 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.133 . . . . 0.0 109.339 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -148.34 154.41 39.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.506 ' N ' HD12 ' A' ' 95' ' ' ILE . 3.2 mp -72.25 -78.0 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.255 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 98' ' ' GLU . 0.8 OUTLIER -44.56 -57.71 3.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 110.245 -179.92 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.8 m -66.39 72.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.985 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 96' ' ' GLU . 1.1 mt-10 -66.27 132.91 49.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 110.306 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 166.82 115.01 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 56.1 4.17 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.518 1.799 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -170.26 127.0 0.81 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.568 ' HB3' ' HB2' ' A' ' 93' ' ' ALA . . . -176.71 56.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.329 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.654 HG13 ' N ' ' A' ' 104' ' ' ALA . 1.4 p -139.26 -159.88 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.654 ' N ' HG13 ' A' ' 103' ' ' VAL . . . 178.51 -56.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 174.87 174.69 0.2 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 0.0 109.334 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.419 ' O ' HG12 ' A' ' 106' ' ' VAL . 95.6 t -81.85 -4.62 7.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.088 . . . . 0.0 109.361 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.418 ' O ' ' HB2' ' A' ' 108' ' ' ALA . 17.0 tt0 56.03 108.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 110.233 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.418 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . 179.33 56.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.99 50.14 1.26 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 13.7 tp -144.88 149.55 35.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 109.339 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 6.3 mm-40 -131.8 -148.15 0.34 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.254 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 111' ' ' GLU . . . 177.33 66.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.14 . . . . 0.0 109.33 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -166.72 48.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.1 t -40.86 -67.94 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.017 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.5 mtt . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.482 0.182 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -162.54 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.553 1.818 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.717 ' O ' HG13 ' A' ' 3' ' ' VAL . 2.4 p -142.18 45.85 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.471 ' N ' ' HB2' ' A' ' 7' ' ' GLU . 8.1 t -78.45 -175.23 4.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 110.404 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.473 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 4.6 tp60 -54.66 -66.92 0.32 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.444 1.09 . . . . 0.0 110.306 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.749 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -51.38 -19.96 1.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.471 ' HB2' ' N ' ' A' ' 4' ' ' THR . 0.8 OUTLIER -74.25 -42.63 59.36 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.501 1.126 . . . . 0.0 110.355 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 1.029 ' CD1' HG13 ' A' ' 74' ' ' VAL . 6.0 mt -94.66 -4.81 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.56 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 3.0 mt -104.61 -40.48 6.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.097 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.749 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -94.33 -33.86 13.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -71.31 -40.24 60.98 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.3 mt -79.43 -54.41 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 0.775 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.56 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -40.68 -49.79 3.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.302 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -59.16 -41.98 89.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.355 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.547 HG23 ' NE2' ' A' ' 50' ' ' GLN . 40.1 mt -66.48 -46.33 86.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.749 HD12 HG12 ' A' ' 27' ' ' ILE . 36.6 mt -53.42 -32.25 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.511 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 1.3 tm-20 -79.06 3.55 17.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -109.89 -45.82 3.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.158 . . . . 0.0 110.348 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.859 HG12 ' OG ' ' A' ' 43' ' ' SER . 2.4 t -79.46 -66.24 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.496 1.122 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.772 HG22 ' HB3' ' A' ' 43' ' ' SER . 18.1 p -76.53 -29.96 56.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.407 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.2 22.92 56.23 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.48 1.112 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.523 HG22 ' N ' ' A' ' 23' ' ' GLU . 47.9 mt -82.3 166.74 2.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.533 0.784 . . . . 0.0 109.241 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.523 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -69.53 152.45 96.32 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.456 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 18.1 Cg_endo -75.02 -54.85 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.537 1.809 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.93 -23.14 66.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 109.999 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.427 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 17.4 tt0 -61.56 -42.85 99.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.799 ' O ' HG23 ' A' ' 28' ' ' THR . 0.7 OUTLIER -62.16 146.9 11.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 -179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.799 HG23 ' O ' ' A' ' 27' ' ' ILE . 0.7 OUTLIER -163.69 166.62 12.25 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.376 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.407 ' HD2' ' HB ' ' A' ' 28' ' ' THR . 18.3 Cg_endo -74.92 48.51 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.452 1.764 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -137.76 -27.87 0.91 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.428 ' O ' ' HB ' ' A' ' 69' ' ' THR . 3.2 mttt -42.95 157.19 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.707 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -116.71 15.0 15.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.969 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.558 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.2 t80 79.98 -30.78 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 111.019 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.566 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -142.49 -57.21 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 109.351 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.566 ' N ' HG12 ' A' ' 34' ' ' VAL . 16.2 t0 -37.18 -33.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.564 1.165 . . . . 0.0 109.292 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -105.4 -67.44 0.92 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.358 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.419 ' CD1' ' SD ' ' A' ' 44' ' ' MET . 73.3 mt -39.84 -52.03 2.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER 63.59 13.53 7.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 -179.907 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.626 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -94.05 -20.09 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.594 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 8.9 t0 89.51 -171.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.619 ' O ' HG23 ' A' ' 45' ' ' VAL . 35.6 t -87.23 1.57 52.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.122 . . . . 0.0 110.017 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.23 -69.45 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.357 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.859 ' OG ' HG12 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -67.24 -43.11 82.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.033 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.419 ' SD ' ' CD1' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -52.65 -31.48 37.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.996 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 41' ' ' SER . 1.4 t -63.29 -36.18 75.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.353 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.539 ' HB2' HG11 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -71.69 -56.46 5.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 110.27 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.619 HD11 HG23 ' A' ' 20' ' ' THR . 2.5 mt -39.36 -41.43 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.33 -45.3 26.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -48.82 -26.52 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.12 . . . . 0.0 109.373 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.547 ' NE2' HG23 ' A' ' 15' ' ' ILE . 51.2 mt-30 -87.49 -60.29 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.332 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.591 HG22 HG21 ' A' ' 57' ' ' VAL . 1.1 m -51.49 -39.07 56.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 110.38 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.64 ' HA ' HG22 ' A' ' 57' ' ' VAL . 20.3 mt-10 -74.12 -1.97 22.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.331 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.26 -62.12 1.62 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.441 1.088 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' A' ' 50' ' ' GLN . 11.5 mtpp -40.96 -40.8 1.49 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.348 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.477 ' CD1' HG13 ' A' ' 57' ' ' VAL . 33.0 t80 -108.34 -46.77 3.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 110.921 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 109.48 10.18 23.98 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.518 1.137 . . . . 0.0 110.97 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.64 HG22 ' HA ' ' A' ' 52' ' ' GLU . 33.2 m -47.59 154.85 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.385 0.697 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.48 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -110.06 121.6 45.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.783 HD11 HD11 ' A' ' 77' ' ' ILE . 21.0 mt -155.58 73.43 5.38 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 170.6 20.05 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.509 1.794 . . . . 0.0 110.955 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.422 ' C ' ' N ' ' A' ' 63' ' ' ASP . 0.4 OUTLIER -55.18 -39.49 69.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -41.63 -27.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.287 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.705 ' CB ' ' CE2' ' A' ' 76' ' ' TYR . 0.1 OUTLIER -116.14 -43.47 2.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.262 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.636 HD23 HG22 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -47.2 -25.3 0.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 63' ' ' ASP . . . -69.68 -44.83 69.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . -74.66 -48.07 13.81 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.457 1.098 . . . . 0.0 111.032 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.883 ' HB3' HG22 ' A' ' 73' ' ' VAL . 19.5 mt -39.31 122.9 1.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 109.235 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.64 -38.82 3.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.766 ' O ' HG23 ' A' ' 73' ' ' VAL . 73.2 p -130.55 166.24 21.03 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.498 1.123 . . . . 0.0 110.371 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.583 ' O ' HG23 ' A' ' 74' ' ' VAL . 12.0 t -52.92 -47.56 52.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -52.71 -30.4 35.47 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.439 1.087 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.689 ' O ' HD22 ' A' ' 67' ' ' LEU . 6.1 t0 -86.0 -27.98 24.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 0.735 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.883 HG22 ' HB3' ' A' ' 67' ' ' LEU . 21.2 t -82.87 -19.14 10.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.227 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 1.029 HG13 ' CD1' ' A' ' 8' ' ' ILE . 91.0 t -90.87 -50.21 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.348 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.728 ' HB2' ' CB ' ' A' ' 88' ' ' ALA . . . -47.24 -56.8 6.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.705 ' CE2' ' CB ' ' A' ' 63' ' ' ASP . 4.6 t80 -45.06 -31.11 1.23 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.948 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.783 HD11 HD11 ' A' ' 59' ' ' ILE . 12.3 mt -81.75 -73.11 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.291 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.485 ' NE2' ' CG1' ' A' ' 74' ' ' VAL . 44.4 mt-30 -49.7 -56.71 9.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.351 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.505 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 16.8 mmmt -38.85 -48.09 1.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.428 ' HA ' HD22 ' A' ' 80' ' ' LEU . 0.2 OUTLIER -70.81 -54.09 12.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.263 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -40.26 -60.41 1.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.416 ' O ' ' CG ' ' A' ' 83' ' ' GLU . 1.5 pt-20 -113.46 -99.41 0.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 1.101 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.416 ' CG ' ' O ' ' A' ' 82' ' ' GLU . 31.5 mt-10 -156.47 -73.53 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.256 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 15.2 t30 63.62 69.51 0.79 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 0.0 109.29 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 55.06 3.82 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.432 1.754 . . . . 0.0 110.966 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.455 ' O ' HG23 ' A' ' 95' ' ' ILE . 1.8 tp10 -138.97 -62.07 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.346 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.475 ' HB2' ' HG ' ' A' ' 91' ' ' LEU . . . -178.81 -92.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.317 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.728 ' CB ' ' HB2' ' A' ' 75' ' ' ALA . . . -176.91 56.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.411 ' CG ' ' C ' ' A' ' 88' ' ' ALA . 6.9 pt20 40.05 51.24 2.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -176.29 51.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 1.008 HD13 ' O ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -147.53 142.12 26.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.597 ' N ' HD22 ' A' ' 91' ' ' LEU . 7.1 ptm180 -159.44 56.27 0.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.667 ' HB2' ' HB2' ' A' ' 102' ' ' ALA . . . -171.37 -50.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 0.0 109.34 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.458 ' O ' HD23 ' A' ' 91' ' ' LEU . 7.1 mtmt -150.55 141.02 22.46 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.455 HG23 ' O ' ' A' ' 86' ' ' GLU . 1.1 mp -57.06 -49.97 77.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.403 1.064 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 98' ' ' GLU . 2.8 tt0 -83.01 -58.97 2.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.6 m -67.47 71.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.962 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 96' ' ' GLU . 49.7 mt-10 -60.31 142.39 54.78 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.133 . . . . 0.0 110.22 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 176.74 115.09 0.14 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 56.29 4.18 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.429 1.752 . . . . 0.0 110.995 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -169.53 126.09 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.346 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.667 ' HB2' ' HB2' ' A' ' 93' ' ' ALA . . . -172.47 53.84 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.693 HG13 ' N ' ' A' ' 104' ' ' ALA . 1.3 p -58.86 -158.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.738 ' O ' HG23 ' A' ' 106' ' ' VAL . . . 173.07 -51.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.367 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 15.0 p-10 -59.54 87.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 104' ' ' ALA . 11.8 t -120.91 172.09 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.257 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.613 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.1 OUTLIER -146.78 -154.96 0.58 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.566 1.166 . . . . 0.0 110.219 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' A' ' 107' ' ' GLN . . . 78.43 37.11 0.19 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.15 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.409 ' O ' ' CG ' ' A' ' 109' ' ' ARG . 0.0 OUTLIER -127.68 58.64 1.48 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.484 1.115 . . . . 0.0 110.257 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 21.7 tp -147.26 149.96 33.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 26.3 mm-40 -136.88 -148.05 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 111' ' ' GLU . . . 179.96 163.6 1.08 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.465 1.103 . . . . 0.0 109.372 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -174.75 -58.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 110.316 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 55.83 168.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.971 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 11.1 tptp . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.277 -179.926 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.511 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 2.6 mtt . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.557 0.218 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.536 ' O ' ' CE2' ' A' ' 55' ' ' TYR . 18.3 Cg_endo -75.11 -86.14 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.498 1.788 . . . . 0.0 110.953 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.646 ' O ' HG13 ' A' ' 3' ' ' VAL . 4.8 p -173.71 47.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.48 ' N ' ' HB2' ' A' ' 7' ' ' GLU . 1.9 t -75.41 -177.69 3.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 110.33 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.451 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 4.6 tp60 -53.17 -67.22 0.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.769 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -51.48 -19.76 1.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.48 ' HB2' ' N ' ' A' ' 4' ' ' THR . 0.3 OUTLIER -74.9 -42.68 57.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.323 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 1.055 ' CD1' HG13 ' A' ' 74' ' ' VAL . 4.9 mt -94.45 -4.15 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.574 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.8 mt -105.66 -41.16 6.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.595 1.184 . . . . 0.0 109.245 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.769 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -93.63 -35.29 12.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -70.02 -40.69 72.84 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.522 1.139 . . . . 0.0 111.056 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.0 OUTLIER -78.37 -53.31 14.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.484 0.755 . . . . 0.0 109.256 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.574 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -41.83 -46.42 3.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.62 -43.71 97.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.43 ' N ' ' O ' ' A' ' 12' ' ' ILE . 28.7 mt -65.2 -44.15 95.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.369 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.2 mt -54.32 -32.82 24.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.506 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 1.1 tm-20 -75.82 2.06 13.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -109.74 -39.69 5.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.738 HG12 ' OG ' ' A' ' 43' ' ' SER . 3.2 t -86.52 -60.08 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.44 1.087 . . . . 0.0 109.306 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.616 HG22 ' OG ' ' A' ' 43' ' ' SER . 31.2 p -83.9 -22.18 31.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.424 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 74.5 21.5 78.68 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.475 1.109 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.512 HG22 ' N ' ' A' ' 23' ' ' GLU . 59.5 mt -80.42 167.0 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 0.752 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.512 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -71.67 151.03 93.52 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -49.5 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.475 1.776 . . . . 0.0 110.969 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.7 -25.35 67.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -62.46 -44.13 97.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.152 . . . . 0.0 110.317 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.47 ' N ' ' CD1' ' A' ' 27' ' ' ILE . 0.6 OUTLIER -64.39 135.51 27.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.419 ' C ' ' H ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -152.79 171.35 6.85 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 110.38 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.413 ' HD2' ' HB ' ' A' ' 28' ' ' THR . 18.3 Cg_endo -75.0 43.72 1.03 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.496 1.787 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.419 ' H ' ' C ' ' A' ' 28' ' ' THR . 1.6 mm-40 -139.36 9.06 2.47 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.518 1.137 . . . . 0.0 110.319 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.402 ' HB2' HG23 ' A' ' 70' ' ' VAL . 1.5 mmtt -74.31 167.16 22.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.84 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -128.06 11.58 6.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 109.988 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.573 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.5 t80 80.3 -36.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.538 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -136.74 -56.5 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.367 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.538 ' N ' HG12 ' A' ' 34' ' ' VAL . 4.5 t70 -38.58 -31.16 0.05 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.091 . . . . 0.0 109.269 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -105.56 -67.91 0.9 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 109.242 -179.909 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 57.8 mt -42.13 -55.17 3.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 68.07 12.75 8.92 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.676 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -93.21 -19.79 6.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.572 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 14.7 t0 89.06 -170.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.647 ' O ' HG23 ' A' ' 45' ' ' VAL . 45.0 p -85.58 1.37 49.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.966 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.06 -68.45 0.38 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.738 ' OG ' HG12 ' A' ' 19' ' ' VAL . 23.0 t -67.13 -47.85 69.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.978 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.441 ' SD ' ' CE1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -47.71 -31.69 5.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 111.016 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 41' ' ' SER . 1.8 t -65.37 -34.73 72.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.611 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.3 OUTLIER -72.84 -55.67 6.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.249 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.614 HD11 HG23 ' A' ' 20' ' ' THR . 3.9 mt -41.09 -41.81 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.568 1.167 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.958 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -75.01 -47.27 29.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.347 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.611 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -47.93 -25.89 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 54' ' ' LYS . 49.6 mt-30 -89.41 -60.72 1.87 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.117 . . . . 0.0 110.333 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.735 HG22 HG21 ' A' ' 57' ' ' VAL . 1.2 m -52.07 -37.39 53.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.385 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.958 ' OE1' ' HB1' ' A' ' 48' ' ' ALA . 13.7 mt-10 -75.41 -1.76 25.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -118.02 -63.19 1.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.428 1.08 . . . . 0.0 109.319 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 50' ' ' GLN . 16.3 mtpt -45.29 -40.95 8.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 109.371 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.536 ' CE2' ' O ' ' A' ' 2' ' ' PRO . 0.9 OUTLIER -105.23 -40.65 5.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.892 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 57' ' ' VAL . . . 100.99 4.65 54.16 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.735 HG21 HG22 ' A' ' 51' ' ' THR . 16.2 m -40.69 149.22 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.472 0.748 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.406 ' O ' ' CG ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -99.29 104.64 16.57 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.572 1.17 . . . . 0.0 109.249 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.859 HD11 ' CG1' ' A' ' 77' ' ' ILE . 20.0 mt -152.33 72.73 7.63 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 169.84 21.73 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.453 1.765 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.62 -40.87 76.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.257 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -50.71 -21.79 1.78 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.588 ' CG ' ' CE2' ' A' ' 76' ' ' TYR . 0.5 OUTLIER -113.19 -33.77 5.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.683 HD13 ' O ' ' A' ' 64' ' ' LEU . 0.7 OUTLIER -58.34 -17.47 20.27 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.467 1.105 . . . . 0.0 109.305 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -75.11 -37.73 61.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -76.6 -46.61 11.37 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.511 1.132 . . . . 0.0 111.048 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.914 ' HB3' HG22 ' A' ' 73' ' ' VAL . 20.7 mt -40.1 123.59 1.7 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 0.757 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.78 -39.72 3.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 110.256 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.84 HG22 ' HA ' ' A' ' 32' ' ' SER . 59.6 p -136.49 168.62 19.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.462 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.903 ' O ' HG23 ' A' ' 74' ' ' VAL . 13.9 t -49.4 -47.71 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -52.67 -36.2 48.03 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.488 1.117 . . . . 0.0 111.049 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.674 ' O ' HD22 ' A' ' 67' ' ' LEU . 6.6 t0 -81.6 -32.15 32.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.914 HG22 ' HB3' ' A' ' 67' ' ' LEU . 23.7 t -77.63 -14.0 14.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 1.055 HG13 ' CD1' ' A' ' 8' ' ' ILE . 83.7 t -95.62 -53.03 8.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.978 ' HB2' ' CB ' ' A' ' 88' ' ' ALA . . . -48.71 -58.34 4.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.892 ' CD2' HD21 ' A' ' 67' ' ' LEU . 1.6 m-85 -40.97 -29.96 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.859 ' CG1' HD11 ' A' ' 59' ' ' ILE . 14.6 mt -76.08 -78.21 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 81' ' ' GLU . 39.6 mt-30 -53.49 -52.98 57.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.336 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.815 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 0.4 OUTLIER -37.34 -39.76 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.0 -45.18 15.69 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.421 1.076 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.513 ' HG3' ' CG ' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -52.08 -31.65 31.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.305 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.513 ' CG ' ' HG3' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -141.56 -100.91 0.14 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.433 1.083 . . . . 0.0 110.213 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.478 ' CG ' ' O ' ' A' ' 82' ' ' GLU . 36.6 mt-10 -158.63 -73.32 0.08 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.425 ' N ' ' OE1' ' A' ' 82' ' ' GLU . 7.2 t30 59.87 69.55 1.22 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 55.0 3.84 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.458 1.767 . . . . 0.0 110.972 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -136.3 -62.84 0.65 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -172.79 -96.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.978 ' CB ' ' HB2' ' A' ' 75' ' ' ALA . . . -178.58 65.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.499 ' C ' ' O ' ' A' ' 88' ' ' ALA . 1.6 pt20 30.31 55.69 0.18 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 110.293 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.417 ' O ' ' O ' ' A' ' 91' ' ' LEU . . . -155.58 -65.41 0.12 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.597 HD23 ' H ' ' A' ' 99' ' ' ASN . 0.3 OUTLIER 45.85 -170.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.268 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.706 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 10.4 mtp180 50.19 67.49 0.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.148 . . . . 0.0 110.281 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.706 ' HB2' ' O ' ' A' ' 92' ' ' ARG . . . 161.4 -27.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 93' ' ' ALA . 0.0 OUTLIER 59.61 149.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.237 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.559 ' O ' HD13 ' A' ' 95' ' ' ILE . 0.2 OUTLIER -148.42 -50.36 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.449 ' N ' ' CG2' ' A' ' 95' ' ' ILE . 1.6 tt0 -120.07 -35.88 3.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.574 1.171 . . . . 0.0 110.266 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 175.91 38.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 109.943 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 99' ' ' ASN . 4.8 mm-40 -94.99 -155.11 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.597 ' H ' HD23 ' A' ' 91' ' ' LEU . 26.9 t-20 38.71 81.45 0.25 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -12.47 21.46 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.782 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.681 ' O ' ' HB3' ' A' ' 102' ' ' ALA . 2.9 t0 -170.67 -54.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.681 ' HB3' ' O ' ' A' ' 101' ' ' ASP . . . 83.24 35.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.681 HG13 ' N ' ' A' ' 104' ' ' ALA . 1.3 p -132.14 -158.96 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.361 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.681 ' N ' HG13 ' A' ' 103' ' ' VAL . . . 80.47 42.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.165 . . . . 0.0 109.243 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 30.2 p30 -50.02 177.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.45 HG12 ' N ' ' A' ' 107' ' ' GLN . 11.2 t -53.88 168.44 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.623 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 13.9 tt0 173.39 143.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.623 ' HB3' ' O ' ' A' ' 107' ' ' GLN . . . 78.22 24.51 0.65 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.404 ' HD2' ' CG1' ' A' ' 106' ' ' VAL . 0.1 OUTLIER -119.87 25.18 10.12 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.426 1.079 . . . . 0.0 110.355 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.0 tp -116.54 167.0 11.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 109.325 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -137.6 77.14 1.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -139.17 90.69 2.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.582 1.176 . . . . 0.0 109.38 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.51 -50.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.3 m 65.28 175.75 0.21 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.603 1.189 . . . . 0.0 110.019 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.1 ttpp . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 109.252 -179.982 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.535 ' CB ' ' HD3' ' A' ' 2' ' ' PRO . 1.6 mtt . . . . . 0 N--CA 1.452 -0.349 0 CA-C-O 120.482 0.182 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.535 ' HD3' ' CB ' ' A' ' 1' ' ' MET . 18.1 Cg_endo -75.04 168.66 24.31 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.506 1.793 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.746 HG12 ' O ' ' A' ' 3' ' ' VAL . 41.8 t 59.7 59.73 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.355 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.4 t -85.12 -177.06 6.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.371 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.549 ' NE2' ' NE2' ' A' ' 89' ' ' GLN . 0.8 OUTLIER -57.27 -65.09 0.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.342 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.799 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -51.5 -19.25 1.35 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.519 1.137 . . . . 0.0 110.309 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -42.34 57.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.552 1.158 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 1.08 HG21 HG22 ' A' ' 74' ' ' VAL . 3.7 mt -95.51 -3.42 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.614 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.4 mt -107.19 -40.93 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.799 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -93.96 -35.95 12.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.09 -41.82 86.03 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.536 1.147 . . . . 0.0 111.049 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.46 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.0 OUTLIER -78.6 -52.99 14.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.55 0.794 . . . . 0.0 109.245 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.614 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -41.6 -49.41 4.12 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -59.11 -40.29 84.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 110.288 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.46 ' N ' ' O ' ' A' ' 12' ' ' ILE . 16.2 mt -66.48 -46.69 85.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.576 1.173 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.492 HD13 HD21 ' A' ' 37' ' ' LEU . 22.4 mt -55.35 -32.35 29.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 22' ' ' ILE . 1.1 tm-20 -75.42 2.2 12.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -109.37 -37.79 5.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.592 1.182 . . . . 0.0 110.316 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.745 HG12 ' OG ' ' A' ' 43' ' ' SER . 2.7 t -86.97 -58.03 3.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.496 HG22 ' CB ' ' A' ' 43' ' ' SER . 29.9 p -84.52 -27.35 27.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 110.372 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.14 28.47 58.28 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.447 1.092 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.491 HG22 ' N ' ' A' ' 23' ' ' GLU . 33.7 mt -90.57 166.23 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 109.342 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.491 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.6 OUTLIER -65.78 149.96 96.86 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.435 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 18.4 Cg_endo -75.02 -50.24 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.487 1.783 . . . . 0.0 110.993 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.48 -26.53 68.76 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 110.037 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -60.86 -41.17 95.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.494 HG13 ' CE ' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -61.77 134.08 27.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.9 p -139.57 163.5 44.74 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.393 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 1.26 7.93 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.461 1.769 . . . . 0.0 110.948 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -99.05 7.01 46.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.578 1.174 . . . . 0.0 110.336 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.893 ' HZ3' HD21 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -59.73 172.33 0.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.245 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.561 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -134.6 15.31 3.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 0.0 109.966 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.561 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.3 t80 79.14 -37.31 0.18 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.499 1.125 . . . . 0.0 110.999 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.563 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.2 t -136.56 -56.75 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.363 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.563 ' N ' HG12 ' A' ' 34' ' ' VAL . 8.8 t70 -38.04 -31.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.572 1.17 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -104.01 -65.2 1.04 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.893 HD21 ' HZ3' ' A' ' 31' ' ' LYS . 64.1 mt -44.97 -55.31 5.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.364 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.4 OUTLIER 68.05 12.33 8.75 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.447 1.092 . . . . 0.0 109.348 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.724 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -95.88 -15.53 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.165 . . . . 0.0 109.249 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.59 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 6.4 t70 89.76 -171.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.4 p -89.56 -0.34 57.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 109.98 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.47 -71.4 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.745 ' OG ' HG12 ' A' ' 19' ' ' VAL . 9.8 t -60.7 -46.26 91.07 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 0.0 109.973 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.478 ' HG2' HD13 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -47.27 -34.08 6.25 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -60.16 -37.49 73.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.582 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -70.44 -55.04 9.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.326 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.52 HG13 HG21 ' A' ' 19' ' ' VAL . 4.5 mt -42.14 -40.29 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.429 ' HB1' ' OE2' ' A' ' 52' ' ' GLU . . . -75.08 -50.32 16.82 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.574 1.171 . . . . 0.0 109.344 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.582 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -46.54 -27.33 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.242 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 54' ' ' LYS . 44.3 mt-30 -88.54 -60.01 2.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.3 m -52.09 -36.83 52.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.369 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.429 ' OE2' ' HB1' ' A' ' 48' ' ' ALA . 40.6 mt-10 -74.95 -4.18 36.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.261 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.9 -61.66 1.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 50' ' ' GLN . 6.1 mtpt -43.38 -41.12 4.01 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.606 ' CZ ' HG22 ' A' ' 3' ' ' VAL . 0.1 OUTLIER -101.0 -44.23 5.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.972 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 97.0 40.69 3.71 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.486 1.117 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.5 m -93.48 151.15 3.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.506 0.769 . . . . 0.0 109.225 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.13 118.15 34.08 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.494 1.121 . . . . 0.0 109.259 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.534 HD11 ' CD1' ' A' ' 77' ' ' ILE . 9.1 mt -148.83 64.98 8.01 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.408 ' HD3' ' N ' ' A' ' 59' ' ' ILE . 18.3 Cg_endo -74.98 174.27 13.07 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.47 1.774 . . . . 0.0 111.02 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.407 ' C ' ' N ' ' A' ' 63' ' ' ASP . 0.3 OUTLIER -53.35 -39.58 64.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.265 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -41.88 -26.99 0.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.713 ' CB ' ' CE2' ' A' ' 76' ' ' TYR . 0.2 OUTLIER -120.3 -44.49 2.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.501 HD23 HG22 ' A' ' 59' ' ' ILE . 0.8 OUTLIER -47.83 -25.0 1.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 63' ' ' ASP . . . -70.64 -41.29 72.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 63' ' ' ASP . . . -78.6 -44.16 11.1 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.496 1.122 . . . . 0.0 110.955 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.952 ' HB3' HG22 ' A' ' 73' ' ' VAL . 10.5 mt -39.25 124.77 1.56 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.603 0.825 . . . . 0.0 109.278 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.43 -42.27 2.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.932 ' O ' HG23 ' A' ' 73' ' ' VAL . 68.9 p -129.19 176.02 8.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.428 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.446 ' O ' ' N ' ' A' ' 74' ' ' VAL . 4.0 t -59.11 -45.95 92.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.71 -23.13 42.94 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.502 1.126 . . . . 0.0 110.94 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.608 ' O ' HD22 ' A' ' 67' ' ' LEU . 3.6 t0 -93.86 -31.45 14.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 0.746 . . . . 0.0 109.374 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.952 HG22 ' HB3' ' A' ' 67' ' ' LEU . 16.6 t -82.93 -13.01 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 1.08 HG22 HG21 ' A' ' 8' ' ' ILE . 43.8 t -99.4 -50.23 10.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.24 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.512 ' HB1' ' HG3' ' A' ' 79' ' ' LYS . . . -44.1 -57.86 3.16 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.713 ' CE2' ' CB ' ' A' ' 63' ' ' ASP . 4.0 t80 -47.79 -24.16 0.91 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.534 ' CD1' HD11 ' A' ' 59' ' ' ILE . 1.8 mt -83.42 -75.89 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.455 1.097 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 81' ' ' GLU . 57.5 mt-30 -52.08 -53.56 40.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.279 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.512 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 8.5 mmmt -40.26 -53.98 2.44 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.481 1.113 . . . . 0.0 109.234 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 76' ' ' TYR . 0.3 OUTLIER -60.49 -41.74 94.88 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.534 1.146 . . . . 0.0 109.263 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 78' ' ' GLN . 0.0 OUTLIER -53.02 -65.62 0.53 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.23 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.408 ' O ' ' CG ' ' A' ' 83' ' ' GLU . 0.8 OUTLIER -125.1 -98.81 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.414 ' O ' ' CB ' ' A' ' 84' ' ' ASN . 30.4 mt-10 -156.23 -72.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.231 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.414 ' CB ' ' O ' ' A' ' 83' ' ' GLU . 5.5 t30 75.44 114.92 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -28.35 9.27 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.513 1.796 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.721 ' O ' ' HB3' ' A' ' 87' ' ' ALA . 0.2 OUTLIER -54.16 -43.37 70.54 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.36 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.721 ' HB3' ' O ' ' A' ' 86' ' ' GLU . . . 86.22 46.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.482 ' CB ' ' HB2' ' A' ' 75' ' ' ALA . . . 62.95 124.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.627 ' O ' ' HB3' ' A' ' 90' ' ' ALA . 1.9 pt20 -55.54 154.77 6.14 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.534 1.147 . . . . 0.0 110.318 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.627 ' HB3' ' O ' ' A' ' 89' ' ' GLN . . . 79.44 43.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 1.002 HD13 ' O ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -145.91 151.88 38.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.403 1.065 . . . . 0.0 109.296 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.69 ' N ' HD22 ' A' ' 91' ' ' LEU . 0.1 OUTLIER 179.19 45.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -156.73 -66.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.543 ' O ' HD23 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -106.37 176.93 5.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 109.272 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.47 ' O ' ' HB1' ' A' ' 87' ' ' ALA . 23.5 mm -64.17 -63.25 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.46 -80.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 110.338 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.61 126.13 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.984 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.7 19.16 1.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.407 ' O ' ' CG ' ' A' ' 99' ' ' ASN . 15.3 p-10 -51.25 113.0 3.44 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -15.09 20.9 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.57 1.826 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.673 ' O ' ' HB3' ' A' ' 102' ' ' ALA . 1.1 t70 -171.22 -60.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.673 ' HB3' ' O ' ' A' ' 101' ' ' ASP . . . 83.41 44.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.591 1.182 . . . . 0.0 109.25 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.515 HG12 ' N ' ' A' ' 104' ' ' ALA . 21.7 t -143.19 169.83 11.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.515 ' N ' HG12 ' A' ' 103' ' ' VAL . . . -103.15 -62.99 1.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.363 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 47.7 t30 175.99 147.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.339 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.419 HG12 ' H ' ' A' ' 107' ' ' GLN . 2.5 t -124.4 167.63 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.498 ' O ' ' HB2' ' A' ' 108' ' ' ALA . 53.6 tt0 -145.05 117.33 8.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.498 ' HB2' ' O ' ' A' ' 107' ' ' GLN . . . 175.14 40.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 109.245 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -128.23 64.91 1.39 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.318 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 19.5 tp -45.29 -73.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.222 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -131.02 -148.12 0.35 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -178.23 68.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -106.4 -62.53 1.38 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 115' ' ' LYS . 3.9 m 62.16 143.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.561 1.163 . . . . 0.0 109.97 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 114' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.584 1.177 . . . . 0.0 109.296 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.413 ' N ' ' HD3' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.366 0 CA-C-O 120.529 0.204 . . . . 0.0 111.042 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.413 ' HD3' ' N ' ' A' ' 1' ' ' MET . 18.4 Cg_endo -74.95 -173.79 1.69 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.489 1.784 . . . . 0.0 110.935 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -108.19 159.11 7.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.475 1.11 . . . . 0.0 109.37 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.419 HG23 ' N ' ' A' ' 5' ' ' GLN . 0.4 OUTLIER -173.03 168.76 4.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.445 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.505 ' NE2' ' NE2' ' A' ' 89' ' ' GLN . 1.5 tp60 -48.76 -68.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.741 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -49.73 -20.86 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 5' ' ' GLN . 0.3 OUTLIER -75.47 -42.74 52.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.331 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.979 HD12 HG13 ' A' ' 74' ' ' VAL . 4.2 mt -92.49 -4.07 10.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.087 . . . . 0.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.715 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.7 mt -105.94 -39.84 5.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.347 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.741 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -95.38 -39.8 9.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.58 -41.32 96.16 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.3 mt -78.96 -49.95 19.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.504 0.767 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.715 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -40.09 -47.26 2.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -63.66 -41.09 98.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.518 HG23 ' NE2' ' A' ' 50' ' ' GLN . 84.8 mt -63.53 -43.89 98.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.668 HD12 HG12 ' A' ' 27' ' ' ILE . 17.6 mt -58.78 -35.01 53.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.508 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 1.9 tm-20 -74.78 1.51 12.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.517 1.136 . . . . 0.0 110.253 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -108.33 -39.77 5.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.242 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.773 HG12 ' OG ' ' A' ' 43' ' ' SER . 3.2 t -85.57 -61.08 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.44 1.088 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.512 HG22 ' OG ' ' A' ' 43' ' ' SER . 39.9 p -81.46 -27.24 34.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.568 1.167 . . . . 0.0 110.388 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.04 23.17 64.23 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.509 1.13 . . . . 0.0 110.986 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.508 ' O ' ' CB ' ' A' ' 17' ' ' GLU . 35.9 mt -85.47 166.22 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.561 0.8 . . . . 0.0 109.369 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.498 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.4 OUTLIER -66.38 148.38 98.58 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 110.305 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.566 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 18.3 Cg_endo -74.99 -49.73 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.444 1.76 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -24.51 67.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.985 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.409 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 7.6 tt0 -60.38 -40.57 91.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.318 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.842 ' O ' HG23 ' A' ' 28' ' ' THR . 0.7 OUTLIER -61.09 149.01 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.842 HG23 ' O ' ' A' ' 27' ' ' ILE . 0.7 OUTLIER -165.23 166.3 10.77 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.432 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 46.43 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.58 1.832 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -136.66 -25.21 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.237 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -43.71 163.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.806 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -124.56 13.86 8.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.433 1.083 . . . . 0.0 109.99 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.603 ' CE1' ' SD ' ' A' ' 44' ' ' MET . 1.5 t80 80.7 -36.4 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.979 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.55 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -137.41 -56.41 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.55 ' N ' HG12 ' A' ' 34' ' ' VAL . 7.3 t0 -37.9 -32.13 0.06 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.428 1.08 . . . . 0.0 109.256 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.3 OUTLIER -105.65 -67.65 0.91 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.282 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.524 HD12 ' O ' ' A' ' 33' ' ' PHE . 67.7 mt -40.24 -54.63 2.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.72 13.16 9.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.673 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -94.5 -16.55 7.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.573 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 1.8 t70 88.39 -171.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.133 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.432 ' O ' HG23 ' A' ' 45' ' ' VAL . 53.4 p -88.0 -0.21 56.74 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.089 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.21 -68.03 0.4 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 109.265 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.773 ' OG ' HG12 ' A' ' 19' ' ' VAL . 17.1 t -65.43 -49.46 69.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.013 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.603 ' SD ' ' CE1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -46.44 -34.21 4.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 41' ' ' SER . 0.9 OUTLIER -61.6 -35.33 66.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 109.234 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.581 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -72.11 -54.88 8.42 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.256 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.5 HD11 HG23 ' A' ' 20' ' ' THR . 3.3 mt -41.56 -41.58 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.998 ' HB1' ' OE2' ' A' ' 52' ' ' GLU . . . -75.02 -51.46 13.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.581 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -46.41 -25.61 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.518 ' NE2' HG23 ' A' ' 15' ' ' ILE . 40.8 mt-30 -88.93 -60.61 1.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.403 HG22 HG21 ' A' ' 57' ' ' VAL . 1.1 m -51.82 -38.34 55.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.451 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.998 ' OE2' ' HB1' ' A' ' 48' ' ' ALA . 11.5 mt-10 -74.76 -1.63 22.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 110.262 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.12 -63.63 1.39 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 50' ' ' GLN . 1.4 mttp -43.82 -40.92 4.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -105.09 -47.26 4.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.98 36.14 4.03 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.678 HG22 ' HA ' ' A' ' 52' ' ' GLU . 15.5 m -73.2 149.95 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.753 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.52 96.72 10.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.916 HD11 ' CD1' ' A' ' 77' ' ' ILE . 31.3 mt -143.42 71.14 17.82 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.235 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 168.75 24.15 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.533 1.807 . . . . 0.0 111.023 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.9 -41.13 70.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -51.32 -20.74 1.82 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 110.31 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.6 ' CG ' ' CE2' ' A' ' 76' ' ' TYR . 1.0 OUTLIER -113.6 -34.86 5.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 109.343 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.64 HD13 ' O ' ' A' ' 64' ' ' LEU . 0.7 OUTLIER -60.36 -15.74 28.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 109.344 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.76 -39.07 45.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -76.35 -48.78 8.94 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.568 1.168 . . . . 0.0 111.074 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.999 HD21 ' CD2' ' A' ' 76' ' ' TYR . 43.2 mt -39.72 128.17 2.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 0.792 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.86 -41.79 2.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.806 HG22 ' HA ' ' A' ' 32' ' ' SER . 77.6 p -132.95 161.52 34.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 110.363 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.704 ' O ' HG23 ' A' ' 74' ' ' VAL . 22.7 t -45.13 -47.98 3.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -50.9 -35.5 32.09 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.5 1.125 . . . . 0.0 110.923 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.616 ' O ' HD22 ' A' ' 67' ' ' LEU . 8.0 t0 -83.27 -34.93 25.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 0.754 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.93 HG22 ' HB3' ' A' ' 67' ' ' LEU . 23.8 t -73.12 -13.57 16.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.979 HG13 HD12 ' A' ' 8' ' ' ILE . 78.1 t -95.56 -59.28 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.583 1.177 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 1.009 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -43.8 -55.19 4.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.312 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.999 ' CD2' HD21 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -43.79 -26.65 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 111.021 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.916 ' CD1' HD11 ' A' ' 59' ' ' ILE . 2.4 mt -86.8 -76.35 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 64.7 mt-30 -46.67 -52.5 13.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 110.355 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.59 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 1.8 mmmp? -49.51 -41.04 39.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.622 HD23 ' O ' ' A' ' 76' ' ' TYR . 0.2 OUTLIER -55.89 -40.52 73.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.433 ' O ' ' CB ' ' A' ' 82' ' ' GLU . 24.2 mm-40 -83.34 -89.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 110.334 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.433 ' CB ' ' O ' ' A' ' 81' ' ' GLU . 1.4 pt-20 165.76 89.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 1.163 . . . . 0.0 110.274 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -128.71 -74.78 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.346 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -118.6 80.45 17.0 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 54.97 3.82 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.495 1.787 . . . . 0.0 110.96 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.755 ' O ' HG23 ' A' ' 95' ' ' ILE . 0.7 OUTLIER -135.48 -70.55 0.48 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.343 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.529 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . . . -165.86 119.26 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 109.278 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 1.009 ' HB2' ' HB2' ' A' ' 75' ' ' ALA . . . -49.37 176.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.412 1.07 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.569 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 2.2 mp0 -72.73 79.43 1.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.569 1.168 . . . . 0.0 110.273 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.569 ' HB2' ' O ' ' A' ' 89' ' ' GLN . . . 171.39 54.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.093 . . . . 0.0 109.354 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.73 HD22 ' C ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -145.39 136.07 24.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.2 ptt180 -155.41 42.93 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.256 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.719 ' HB3' ' HB3' ' A' ' 98' ' ' GLU . . . -177.58 -65.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -116.58 171.8 7.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 109.234 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.755 HG23 ' O ' ' A' ' 86' ' ' GLU . 2.1 mp -91.17 -41.27 13.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -70.47 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.275 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.67 117.72 0.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.417 1.073 . . . . 0.0 110.002 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.719 ' HB3' ' HB3' ' A' ' 93' ' ' ALA . 0.9 OUTLIER -147.39 -43.96 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.589 ' N ' ' CD ' ' A' ' 100' ' ' PRO . 0.2 OUTLIER -48.98 -47.23 75.01 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.589 ' CD ' ' N ' ' A' ' 99' ' ' ASN . 18.0 Cg_endo -75.06 55.53 4.01 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.497 1.788 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.667 ' O ' ' HB3' ' A' ' 102' ' ' ALA . 6.9 t0 -165.97 -55.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.667 ' HB3' ' O ' ' A' ' 101' ' ' ASP . . . 81.77 47.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.767 HG22 ' H ' ' A' ' 104' ' ' ALA . 2.8 p 48.64 -166.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.233 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.767 ' H ' HG22 ' A' ' 103' ' ' VAL . . . -97.9 -61.43 1.39 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 40.8 t30 176.55 176.5 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.338 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.551 HG12 ' H ' ' A' ' 107' ' ' GLN . 10.5 t -110.06 172.59 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.551 ' H ' HG12 ' A' ' 106' ' ' VAL . 3.5 tp60 -79.99 -149.68 0.06 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 109' ' ' ARG . . . -111.13 19.19 18.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 108' ' ' ALA . 0.3 OUTLIER 38.42 59.78 1.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.237 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.4 tp -112.97 143.41 44.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -148.69 117.61 6.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 110.247 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -40.89 140.41 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -99.5 -59.49 1.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 25.4 t 54.13 170.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 110.05 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 109.256 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.441 ' CG ' ' HD2' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.479 0.18 . . . . 0.0 111.025 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.441 ' HD2' ' CG ' ' A' ' 1' ' ' MET . 18.4 Cg_endo -75.08 -61.07 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.434 1.755 . . . . 0.0 111.0 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.598 ' O ' HG13 ' A' ' 3' ' ' VAL . 9.0 p -151.19 50.6 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.168 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.472 ' N ' ' HB2' ' A' ' 7' ' ' GLU . 4.4 t -75.71 -176.3 3.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.413 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.449 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 4.4 tp60 -54.11 -67.06 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 110.283 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.759 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -51.59 -19.7 1.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.472 ' HB2' ' N ' ' A' ' 4' ' ' THR . 1.1 mm-40 -75.06 -43.01 55.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.349 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 1.062 ' CD1' HG13 ' A' ' 74' ' ' VAL . 4.8 mt -94.06 -4.07 10.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 109.214 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.614 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.7 mt -105.55 -41.52 6.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.382 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.759 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -93.55 -36.54 12.36 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.44 1.087 . . . . 0.0 109.328 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.64 -42.58 79.81 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.386 1.054 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.472 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.0 OUTLIER -76.61 -53.27 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.557 0.798 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.614 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -40.45 -48.17 2.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.357 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -59.06 -43.03 91.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.472 ' N ' ' O ' ' A' ' 12' ' ' ILE . 59.7 mt -66.31 -45.96 88.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.519 HD12 ' CG1' ' A' ' 27' ' ' ILE . 39.8 mt -53.93 -30.95 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.506 ' CG ' ' O ' ' A' ' 22' ' ' ILE . 2.9 tm-20 -77.99 4.05 13.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.542 1.152 . . . . 0.0 110.276 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -109.91 -42.78 4.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.536 1.147 . . . . 0.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.716 HG12 ' OG ' ' A' ' 43' ' ' SER . 3.5 t -80.43 -60.64 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.619 HG22 ' OG ' ' A' ' 43' ' ' SER . 32.3 p -82.03 -29.12 32.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.342 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.63 20.33 64.09 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.526 1.141 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.506 ' O ' ' CG ' ' A' ' 17' ' ' GLU . 50.8 mt -82.39 165.87 2.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.521 0.777 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.495 ' N ' HG22 ' A' ' 22' ' ' ILE . 3.8 mt-10 -67.74 148.8 98.49 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.241 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.466 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 18.5 Cg_endo -75.07 -50.17 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.484 1.781 . . . . 0.0 111.034 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.91 -25.37 66.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 110.001 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -63.84 -44.01 94.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.581 1.176 . . . . 0.0 110.355 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.519 ' CG1' HD12 ' A' ' 16' ' ' ILE . 0.8 OUTLIER -60.82 124.26 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.409 1.068 . . . . 0.0 109.315 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.452 ' C ' ' H ' ' A' ' 30' ' ' GLU . 1.1 p -137.92 165.78 31.11 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.358 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.436 ' HG3' ' CD1' ' A' ' 9' ' ' ILE . 18.3 Cg_endo -75.0 40.71 0.68 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.56 1.821 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.452 ' H ' ' C ' ' A' ' 28' ' ' THR . 1.8 mm-40 -137.58 6.78 2.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.43 ' O ' HG22 ' A' ' 69' ' ' THR . 1.5 mttt -68.09 169.05 10.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.741 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -129.06 11.59 6.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 109.948 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.567 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.4 t80 80.13 -35.78 0.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 111.02 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.551 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -137.33 -56.59 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.551 ' N ' HG12 ' A' ' 34' ' ' VAL . 19.1 t0 -38.34 -31.53 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.1 OUTLIER -105.66 -67.86 0.9 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 109.33 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.4 HD11 ' CE ' ' A' ' 44' ' ' MET . 43.9 mt -41.55 -55.39 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 68.31 14.25 9.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.127 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.708 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -95.08 -18.91 6.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.582 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 5.3 t70 89.8 -172.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.26 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.4 p -85.78 3.35 41.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.969 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -68.67 -68.41 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.716 ' OG ' HG12 ' A' ' 19' ' ' VAL . 25.7 t -66.08 -49.67 66.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.904 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.4 ' CE ' HD11 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -47.07 -30.16 2.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.949 -179.924 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -65.35 -35.99 76.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.466 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.3 OUTLIER -72.02 -56.01 6.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.259 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.533 HG13 HG21 ' A' ' 19' ' ' VAL . 2.7 mt -39.57 -43.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.811 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -72.95 -49.33 29.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.41 1.069 . . . . 0.0 109.345 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.466 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -48.23 -25.25 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 54' ' ' LYS . 40.7 mt-30 -89.98 -60.51 1.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.644 HG22 HG21 ' A' ' 57' ' ' VAL . 1.2 m -51.97 -37.76 54.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.358 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.811 ' OE1' ' HB1' ' A' ' 48' ' ' ALA . 16.8 mt-10 -75.7 -1.17 23.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.442 1.089 . . . . 0.0 110.365 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.89 -62.38 1.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 50' ' ' GLN . 47.1 mttt -44.06 -41.14 5.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -106.48 -48.48 3.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 110.961 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 107.56 17.35 11.38 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.517 1.135 . . . . 0.0 110.955 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.644 HG21 HG22 ' A' ' 51' ' ' THR . 20.5 m -54.17 149.52 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.536 0.786 . . . . 0.0 109.263 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.451 ' CG ' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -94.42 100.65 12.62 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.712 ' O ' HG22 ' A' ' 59' ' ' ILE . 37.8 mt -149.37 64.43 7.26 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.414 ' HD3' ' N ' ' A' ' 59' ' ' ILE . 18.6 Cg_endo -74.96 169.22 23.09 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.527 1.803 . . . . 0.0 111.087 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.55 -42.04 32.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -51.73 -20.95 2.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.26 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.59 ' CG ' ' CE2' ' A' ' 76' ' ' TYR . 0.7 OUTLIER -113.8 -34.18 5.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.424 1.077 . . . . 0.0 109.304 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.587 HD13 ' O ' ' A' ' 64' ' ' LEU . 0.8 OUTLIER -60.6 -15.56 29.3 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.01 -37.52 46.88 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -80.54 -45.75 7.76 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.446 1.091 . . . . 0.0 111.006 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.929 HD21 ' CD2' ' A' ' 76' ' ' TYR . 15.7 mt -39.94 121.34 1.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 0.765 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.41 -40.44 3.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.803 ' O ' HG23 ' A' ' 73' ' ' VAL . 69.4 p -134.42 171.97 13.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.409 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.938 ' O ' HG23 ' A' ' 74' ' ' VAL . 11.1 t -53.73 -45.67 61.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -53.78 -39.3 61.38 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.509 1.131 . . . . 0.0 111.026 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.6 ' O ' HD22 ' A' ' 67' ' ' LEU . 7.3 t0 -79.06 -30.11 43.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 0.76 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.887 HG22 ' HB3' ' A' ' 67' ' ' LEU . 46.2 t -80.13 -14.7 13.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 1.062 HG13 ' CD1' ' A' ' 8' ' ' ILE . 70.7 t -96.75 -53.72 7.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.862 ' HB2' ' CB ' ' A' ' 88' ' ' ALA . . . -48.67 -56.85 7.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.929 ' CD2' HD21 ' A' ' 67' ' ' LEU . 1.1 m-30 -41.52 -27.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.977 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.476 HG12 HD11 ' A' ' 59' ' ' ILE . 2.9 mt -81.28 -78.12 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.455 ' O ' ' N ' ' A' ' 81' ' ' GLU . 31.5 mt-30 -50.72 -51.06 53.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.344 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.701 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 1.3 mmmp? -39.86 -52.55 2.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.98 -41.07 97.64 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 78' ' ' GLN . 19.1 mt-10 -61.22 -72.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.08 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.463 ' O ' ' CG ' ' A' ' 83' ' ' GLU . 3.4 mt-10 -109.42 -99.95 0.39 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.463 ' CG ' ' O ' ' A' ' 82' ' ' GLU . 33.7 mt-10 -158.62 -75.3 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.405 ' CB ' ' O ' ' A' ' 83' ' ' GLU . 11.7 t30 74.89 80.54 0.15 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.075 . . . . 0.0 109.255 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 5.14 4.19 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.492 1.785 . . . . 0.0 111.062 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.743 ' O ' ' HB2' ' A' ' 87' ' ' ALA . 1.1 tt0 -71.12 -71.75 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.366 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.743 ' HB2' ' O ' ' A' ' 86' ' ' GLU . . . 157.35 47.54 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.862 ' CB ' ' HB2' ' A' ' 75' ' ' ALA . . . 40.96 34.14 0.26 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.469 1.106 . . . . 0.0 109.341 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.439 ' NE2' ' HB2' ' A' ' 5' ' ' GLN . 4.3 mt-30 57.54 86.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.34 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.828 ' HB3' ' HD3' ' A' ' 94' ' ' LYS . . . -176.7 -60.0 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.977 HD22 ' HD3' ' A' ' 100' ' ' PRO . 6.1 mt 50.18 -179.42 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.613 1.196 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.706 ' O ' ' HB3' ' A' ' 93' ' ' ALA . 39.0 mtp85 51.15 74.41 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' A' ' 92' ' ' ARG . . . 86.2 64.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.133 . . . . 0.0 109.258 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.828 ' HD3' ' HB3' ' A' ' 90' ' ' ALA . 0.0 OUTLIER -91.44 166.3 12.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.355 179.913 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.428 ' C ' ' O ' ' A' ' 94' ' ' LYS . 1.3 tp -38.73 -34.59 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.564 1.165 . . . . 0.0 109.276 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.59 -85.26 0.18 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.624 1.203 . . . . 0.0 110.33 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 168.01 41.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.929 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.404 ' HB3' ' CD2' ' A' ' 91' ' ' LEU . 1.4 mp0 -59.53 -99.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 110.277 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 11.9 t30 54.46 93.66 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.977 ' HD3' HD22 ' A' ' 91' ' ' LEU . 18.4 Cg_endo -75.04 -18.79 18.37 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.531 1.806 . . . . 0.0 111.036 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -171.96 127.16 0.59 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.439 1.087 . . . . 0.0 109.317 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -178.11 45.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 109.348 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.701 HG13 ' N ' ' A' ' 104' ' ' ALA . 1.2 p -98.68 -158.68 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.418 1.074 . . . . 0.0 109.279 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.701 ' N ' HG13 ' A' ' 103' ' ' VAL . . . 79.64 33.07 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 109.241 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -48.45 151.77 1.03 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.353 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -123.29 -177.32 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.665 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 2.5 tp60 -103.27 58.34 0.75 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.254 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.665 ' HB3' ' O ' ' A' ' 107' ' ' GLN . . . 83.35 38.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.427 1.079 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.504 ' C ' ' O ' ' A' ' 108' ' ' ALA . 0.0 OUTLIER 30.52 56.88 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.419 1.074 . . . . 0.0 110.3 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 15.3 tp -150.47 159.48 44.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.292 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 52.88 92.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.323 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -125.58 61.2 1.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -168.43 -58.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.563 1.164 . . . . 0.0 110.335 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 27.8 t 63.78 125.83 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.526 1.142 . . . . 0.0 109.928 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 10.0 tttp . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.347 179.945 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.491 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.507 0.194 . . . . 0.0 111.031 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.5 Cg_endo -74.97 -88.53 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.497 1.788 . . . . 0.0 111.059 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.572 HG22 HD11 ' A' ' 8' ' ' ILE . 7.4 p -176.15 54.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.38 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.566 HG22 ' OE1' ' A' ' 7' ' ' GLU . 1.3 t -78.1 -174.31 3.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 110.347 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.513 ' NE2' ' NE2' ' A' ' 89' ' ' GLN . 4.3 tp60 -54.31 -66.77 0.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.747 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -51.3 -19.84 1.44 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.566 ' OE1' HG22 ' A' ' 4' ' ' THR . 0.6 OUTLIER -74.41 -42.57 58.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.818 ' CD1' HG13 ' A' ' 74' ' ' VAL . 5.0 mt -94.98 -3.65 10.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.602 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.8 mt -105.96 -41.54 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.747 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -93.81 -36.36 12.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.242 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.87 -42.41 78.71 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.439 1.087 . . . . 0.0 110.978 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 15' ' ' ILE . 0.8 OUTLIER -76.91 -53.5 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 0.755 . . . . 0.0 109.229 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.602 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -41.07 -47.68 3.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -58.53 -45.22 89.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.252 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.427 ' N ' ' O ' ' A' ' 12' ' ' ILE . 54.8 mt -65.32 -45.26 93.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 109.221 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.538 HD12 HG12 ' A' ' 27' ' ' ILE . 22.3 mt -53.12 -33.54 20.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.503 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 22.3 tt0 -75.54 1.81 13.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -105.79 -49.39 3.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.293 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.885 HG12 ' OG ' ' A' ' 43' ' ' SER . 2.9 t -76.96 -67.4 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.69 HG22 ' HB3' ' A' ' 43' ' ' SER . 43.2 p -73.63 -32.86 64.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 110.388 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.23 24.03 49.31 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.45 1.094 . . . . 0.0 111.02 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.503 ' O ' ' CB ' ' A' ' 17' ' ' GLU . 38.5 mt -82.43 166.04 2.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 0.764 . . . . 0.0 109.272 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.497 ' N ' HG22 ' A' ' 22' ' ' ILE . 1.2 mt-10 -69.41 153.42 95.84 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.417 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 18.3 Cg_endo -75.02 -49.88 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.441 1.758 . . . . 0.0 110.943 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.02 -21.79 65.01 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.162 . . . . 0.0 110.013 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.46 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 20.3 tt0 -62.21 -45.42 93.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 110.335 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.538 HG12 HD12 ' A' ' 16' ' ' ILE . 0.7 OUTLIER -62.49 132.82 28.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 109.253 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.432 ' C ' ' H ' ' A' ' 30' ' ' GLU . 1.3 p -144.56 164.7 26.71 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 110.401 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.403 ' HB3' HD11 ' A' ' 9' ' ' ILE . 18.2 Cg_endo -74.98 42.7 0.87 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.491 1.785 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.432 ' H ' ' C ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -141.18 9.49 2.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.533 1.145 . . . . 0.0 110.348 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -71.38 165.97 22.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.287 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.715 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -125.89 13.4 7.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.018 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.562 ' CB ' ' O ' ' A' ' 32' ' ' SER . 1.1 t80 79.42 -33.82 0.14 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.564 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.1 t -138.18 -57.68 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.564 ' N ' HG12 ' A' ' 34' ' ' VAL . 10.5 t0 -37.39 -32.74 0.05 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -104.95 -66.67 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.231 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.2 mt -43.71 -54.23 5.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.16 . . . . 0.0 109.347 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 34' ' ' VAL . 1.6 t0 65.81 15.88 10.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.685 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -97.98 -17.78 6.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.919 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.567 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 1.7 t70 88.57 -169.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.665 ' O ' HG23 ' A' ' 45' ' ' VAL . 13.7 p -90.54 0.5 57.32 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.48 1.112 . . . . 0.0 110.041 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.09 -67.97 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.885 ' OG ' HG12 ' A' ' 19' ' ' VAL . 0.7 OUTLIER -65.62 -49.09 70.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.915 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.451 ' SD ' ' CE1' ' A' ' 33' ' ' PHE . 0.0 OUTLIER -47.35 -37.48 11.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 110.981 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 41' ' ' SER . 1.7 t -57.3 -35.49 49.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.546 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -73.67 -53.55 10.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.633 HD11 HG23 ' A' ' 20' ' ' THR . 2.4 mt -40.15 -43.44 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.308 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.48 -48.57 26.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.546 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.4 OUTLIER -48.3 -27.56 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 54' ' ' LYS . 45.5 mt-30 -87.98 -58.39 2.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -51.13 -39.64 56.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.39 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.486 ' HA ' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -75.68 -0.28 20.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.12 -63.84 1.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 50' ' ' GLN . 9.0 mtpt -50.59 -42.69 56.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -100.3 -48.54 4.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 111.007 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.23 29.53 6.71 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.432 1.082 . . . . 0.0 111.076 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.486 HG22 ' HA ' ' A' ' 52' ' ' GLU . 2.7 m -59.09 -171.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.514 0.773 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.499 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 0.5 OUTLIER -129.88 100.09 5.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.095 . . . . 0.0 109.26 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.779 HD11 HD11 ' A' ' 77' ' ' ILE . 21.8 mt -156.38 78.25 4.17 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 167.75 26.35 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.475 1.776 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.12 -41.02 87.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -54.34 -18.41 4.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.327 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -112.26 -33.51 6.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.231 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.728 HD13 ' O ' ' A' ' 64' ' ' LEU . 1.0 OUTLIER -54.25 -20.01 6.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.27 -29.73 48.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -79.42 -50.42 5.73 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.554 1.159 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.935 ' HB3' HG22 ' A' ' 73' ' ' VAL . 10.2 mt -38.98 126.83 1.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.792 . . . . 0.0 109.317 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.61 -40.86 2.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.755 ' O ' HG23 ' A' ' 73' ' ' VAL . 40.7 p -135.09 171.27 14.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.405 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.561 ' O ' HG23 ' A' ' 74' ' ' VAL . 9.6 t -54.59 -41.43 55.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -59.66 -26.92 63.14 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.404 ' O ' HD22 ' A' ' 67' ' ' LEU . 6.9 t0 -90.46 -32.87 16.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 0.767 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.935 HG22 ' HB3' ' A' ' 67' ' ' LEU . 22.1 t -77.28 -13.73 14.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.818 HG13 ' CD1' ' A' ' 8' ' ' ILE . 53.9 t -98.53 -56.58 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.588 ' HB2' ' CB ' ' A' ' 88' ' ' ALA . . . -46.09 -57.34 4.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.267 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.865 ' CD2' HD21 ' A' ' 67' ' ' LEU . 3.2 m-85 -42.07 -30.7 0.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.454 1.096 . . . . 0.0 111.045 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.779 HD11 HD11 ' A' ' 59' ' ' ILE . 3.1 mt -84.09 -74.95 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 81' ' ' GLU . 46.1 mt-30 -47.87 -56.85 6.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.344 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.519 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 35.3 mmtm -39.2 -54.23 1.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.465 ' HB3' ' HZ2' ' A' ' 58' ' ' LYS . 0.2 OUTLIER -63.98 -41.16 97.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 0.0 109.349 179.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 78' ' ' GLN . 5.2 mm-40 -59.21 -59.3 5.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.51 ' O ' ' CG ' ' A' ' 83' ' ' GLU . 0.3 OUTLIER -120.32 -101.69 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.51 ' CG ' ' O ' ' A' ' 82' ' ' GLU . 34.6 mt-10 -160.14 -73.05 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 110.254 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.431 ' N ' ' HD3' ' A' ' 85' ' ' PRO . 2.9 t30 66.44 63.67 0.87 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.431 ' HD3' ' N ' ' A' ' 84' ' ' ASN . 18.4 Cg_endo -74.99 52.25 3.0 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.531 1.806 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.86 ' CG ' HD11 ' A' ' 91' ' ' LEU . 9.8 tp10 -134.8 -69.25 0.52 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.165 . . . . 0.0 110.315 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.614 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . . . 178.71 137.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 0.0 109.248 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.588 ' CB ' ' HB2' ' A' ' 75' ' ' ALA . . . -73.96 58.03 0.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.513 ' NE2' ' NE2' ' A' ' 5' ' ' GLN . 3.1 mt-30 66.81 59.13 0.58 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.345 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -163.79 44.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.86 HD11 ' CG ' ' A' ' 86' ' ' GLU . 0.6 OUTLIER -82.85 -173.39 4.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.338 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 91' ' ' LEU . 11.4 mtm180 38.04 42.72 0.48 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -175.37 -42.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.353 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.22 140.94 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.25 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.544 ' O ' HD13 ' A' ' 95' ' ' ILE . 0.2 OUTLIER -119.02 -39.4 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.472 1.107 . . . . 0.0 109.253 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.414 ' HA ' ' OE2' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -136.41 -45.33 0.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 110.338 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.25 28.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.947 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.528 ' HB3' ' HB2' ' A' ' 87' ' ' ALA . 22.9 mp0 -96.1 -167.3 1.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 63.61 72.55 0.54 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -10.91 21.37 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.432 1.754 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -169.73 132.74 1.19 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 109.3 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.403 ' CB ' ' HA ' ' A' ' 92' ' ' ARG . . . -176.23 47.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.721 HG13 ' N ' ' A' ' 104' ' ' ALA . 0.9 OUTLIER -77.51 -158.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 0.0 109.35 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.721 ' N ' HG13 ' A' ' 103' ' ' VAL . . . 163.73 56.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.334 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -69.33 139.35 54.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.333 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.496 HG12 ' H ' ' A' ' 107' ' ' GLN . 2.8 t -146.92 170.22 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.089 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.593 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.0 OUTLIER -132.73 -155.08 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.593 ' HB3' ' O ' ' A' ' 107' ' ' GLN . . . 77.41 35.18 0.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -108.8 54.64 0.65 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 0.0 110.241 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 20.7 tp -124.68 140.71 52.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -130.05 -148.28 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 61.27 104.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -128.41 -66.36 0.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 18.6 p -171.27 172.33 5.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.99 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.8 tttt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.348 179.909 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 CA-C-O 120.484 0.183 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.406 ' O ' ' CE1' ' A' ' 55' ' ' TYR . 18.4 Cg_endo -75.01 -162.69 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.526 1.803 . . . . 0.0 111.046 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.772 HG13 HD11 ' A' ' 8' ' ' ILE . 0.5 OUTLIER -142.25 106.72 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.699 HG22 ' H ' ' A' ' 5' ' ' GLN . 19.5 m -86.77 -177.23 6.06 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.421 1.075 . . . . 0.0 110.416 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.699 ' H ' HG22 ' A' ' 4' ' ' THR . 4.7 tp60 -54.45 -67.98 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.336 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.785 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -49.79 -19.41 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 110.218 -179.913 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.77 ' HB3' HG22 ' A' ' 3' ' ' VAL . 0.0 OUTLIER -74.25 -43.18 58.02 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.565 1.166 . . . . 0.0 110.356 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 1.082 ' CD1' HG13 ' A' ' 74' ' ' VAL . 6.8 mt -95.19 -3.6 10.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.15 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.491 ' CD1' ' HG3' ' A' ' 5' ' ' GLN . 2.9 mt -106.1 -40.83 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.785 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -94.2 -34.77 12.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 109.322 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -71.47 -39.27 61.48 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.422 HG13 ' HA ' ' A' ' 8' ' ' ILE . 0.8 OUTLIER -76.76 -53.36 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.461 0.742 . . . . 0.0 109.3 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.493 ' HB1' ' O ' ' A' ' 24' ' ' PRO . . . -41.43 -46.98 3.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -58.9 -46.7 87.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.34 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.511 HG23 ' NE2' ' A' ' 50' ' ' GLN . 40.6 mt -64.23 -43.72 97.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.443 HD12 ' CG1' ' A' ' 27' ' ' ILE . 10.8 mt -53.68 -31.61 20.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.473 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 1.8 tm-20 -78.07 3.22 15.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -108.48 -45.9 3.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.443 1.089 . . . . 0.0 110.243 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.902 HG12 ' OG ' ' A' ' 43' ' ' SER . 2.5 t -80.74 -67.0 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.733 HG22 ' HB3' ' A' ' 43' ' ' SER . 24.5 p -74.9 -25.39 58.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.397 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 76.19 23.9 70.1 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.555 1.159 . . . . 0.0 111.014 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.522 HG22 ' N ' ' A' ' 23' ' ' GLU . 59.0 mt -83.75 166.92 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.529 0.782 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.522 ' N ' HG22 ' A' ' 22' ' ' ILE . 2.9 mt-10 -69.39 150.7 97.03 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.493 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 18.4 Cg_endo -75.01 -49.68 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.473 1.775 . . . . 0.0 110.992 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.02 -24.05 65.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.045 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -66.09 -48.28 71.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.338 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.462 HD11 HG21 ' A' ' 22' ' ' ILE . 0.7 OUTLIER -60.35 123.23 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.261 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.418 ' HB ' ' HD2' ' A' ' 29' ' ' PRO . 0.1 OUTLIER -133.22 170.32 11.69 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 110.39 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.459 ' HB3' HD11 ' A' ' 9' ' ' ILE . 18.3 Cg_endo -74.94 2.07 7.0 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.552 1.817 . . . . 0.0 111.009 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -91.11 -9.73 44.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -56.25 164.96 1.15 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.373 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.709 ' HA ' HG22 ' A' ' 69' ' ' THR . 0.2 OUTLIER -125.69 17.7 8.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 109.977 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.628 ' O ' HD12 ' A' ' 37' ' ' LEU . 1.5 t80 80.27 -38.79 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 111.024 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.511 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.0 OUTLIER -138.53 -54.81 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.342 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.511 ' N ' HG12 ' A' ' 34' ' ' VAL . 17.3 t0 -38.16 -31.35 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.155 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.5 OUTLIER -107.28 -66.47 1.02 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.628 HD12 ' O ' ' A' ' 33' ' ' PHE . 78.0 mt -39.81 -55.01 2.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.289 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 68.11 10.9 8.11 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.567 1.167 . . . . 0.0 109.319 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.607 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -91.37 -19.53 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.226 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.59 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 2.0 t70 89.26 -171.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.348 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 95.1 p -89.77 3.84 51.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.035 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.25 -70.97 0.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.902 ' OG ' HG12 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -64.89 -43.33 93.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.028 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.488 ' SD ' ' CD1' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -52.36 -31.08 31.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 111.047 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.2 t -61.88 -38.67 81.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.593 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.2 OUTLIER -70.84 -55.44 8.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.289 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.708 HD11 HG23 ' A' ' 20' ' ' THR . 3.4 mt -39.27 -42.47 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.351 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.404 ' C ' ' N ' ' A' ' 50' ' ' GLN . . . -75.87 -46.73 28.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.593 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -48.31 -24.71 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.511 ' NE2' HG23 ' A' ' 15' ' ' ILE . 47.2 mt-30 -90.08 -60.47 1.92 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.264 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -51.3 -39.27 56.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 110.417 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.62 ' HA ' HG22 ' A' ' 57' ' ' VAL . 20.8 mt-10 -74.41 -1.7 22.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -117.39 -61.51 1.69 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.414 1.071 . . . . 0.0 109.315 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 50' ' ' GLN . 1.4 mtpp -43.74 -42.46 5.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.49 ' CE2' HG23 ' A' ' 3' ' ' VAL . 0.2 OUTLIER -104.93 -50.48 3.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 105.0 39.27 2.34 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.62 HG22 ' HA ' ' A' ' 52' ' ' GLU . 3.7 m -73.45 151.3 7.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.517 0.775 . . . . 0.0 109.291 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.97 113.54 27.15 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.469 1.106 . . . . 0.0 109.351 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.658 HD11 HG12 ' A' ' 77' ' ' ILE . 13.5 mt -150.66 76.18 8.29 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.435 1.084 . . . . 0.0 109.328 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 170.0 21.38 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.502 1.791 . . . . 0.0 111.055 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.91 -40.16 79.7 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -46.55 -23.91 0.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.491 ' OD1' ' CD2' ' A' ' 76' ' ' TYR . 0.4 OUTLIER -113.67 -37.18 4.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 109.286 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.634 HD13 ' O ' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -55.51 -19.43 9.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.53 -40.34 76.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -80.56 -45.48 7.9 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.489 1.118 . . . . 0.0 110.941 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.912 ' HB3' HG22 ' A' ' 73' ' ' VAL . 14.8 mt -38.98 115.66 0.5 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.42 0.717 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.98 -37.84 4.36 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 110.355 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.821 ' O ' HG23 ' A' ' 73' ' ' VAL . 42.4 p -132.48 170.69 14.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 110.379 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.552 HG12 ' CG2' ' A' ' 74' ' ' VAL . 4.7 t -56.12 -55.41 18.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -43.03 -32.15 1.43 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.54 1.15 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.573 ' OD1' ' CE1' ' A' ' 76' ' ' TYR . 6.3 t0 -87.49 -37.27 17.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 0.749 . . . . 0.0 109.27 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.912 HG22 ' HB3' ' A' ' 67' ' ' LEU . 39.7 t -74.68 -12.16 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 1.082 HG13 ' CD1' ' A' ' 8' ' ' ILE . 78.3 t -98.12 -58.23 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.76 ' HB3' ' HB1' ' A' ' 88' ' ' ALA . . . -49.52 -56.14 10.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.817 ' CD2' HD21 ' A' ' 67' ' ' LEU . 2.5 m-85 -41.41 -26.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 111.044 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.658 HG12 HD11 ' A' ' 59' ' ' ILE . 3.1 mt -75.21 -65.5 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.483 ' NE2' ' O ' ' A' ' 3' ' ' VAL . 24.6 mt-30 -83.41 -62.66 1.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.584 ' CG ' ' HB1' ' A' ' 75' ' ' ALA . 15.5 mmtm -35.71 -41.62 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.316 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.533 ' CB ' ' O ' ' A' ' 76' ' ' TYR . 0.3 OUTLIER -71.98 -64.16 0.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -39.66 -28.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.575 1.172 . . . . 0.0 110.255 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 80' ' ' LEU . 1.9 mt-10 -102.63 -95.67 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -155.51 -77.4 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 110.326 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.438 ' OD1' ' CE ' ' A' ' 79' ' ' LYS . 34.6 t30 70.33 74.38 0.26 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.161 . . . . 0.0 109.27 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 50.08 2.44 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.506 1.793 . . . . 0.0 110.99 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.62 ' O ' HD13 ' A' ' 95' ' ' ILE . 1.2 tp10 -142.53 -69.37 0.35 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.337 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.522 ' CB ' ' CB ' ' A' ' 91' ' ' LEU . . . -178.69 -73.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 109.258 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.76 ' HB1' ' HB3' ' A' ' 75' ' ' ALA . . . -176.22 -161.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.258 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.604 ' H ' ' HB2' ' A' ' 75' ' ' ALA . 2.0 mt-30 -88.98 44.94 1.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -163.15 -65.28 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.609 HD12 ' O ' ' A' ' 94' ' ' LYS . 2.6 mm? -40.65 154.54 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -163.03 44.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.292 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -178.02 -61.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.428 1.08 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.609 ' O ' HD12 ' A' ' 91' ' ' LEU . 1.4 tttp -115.89 178.33 4.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.42 1.075 . . . . 0.0 109.353 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.62 HD13 ' O ' ' A' ' 86' ' ' GLU . 10.6 mm -89.52 -63.92 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.208 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 98' ' ' GLU . 0.0 OUTLIER -92.58 -38.33 11.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.244 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 98' ' ' GLU . 3.3 m -66.42 74.97 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.052 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.6 ' HA ' HD11 ' A' ' 91' ' ' LEU . 0.9 OUTLIER -36.73 145.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 110.282 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.426 ' ND2' ' O ' ' A' ' 99' ' ' ASN . 4.6 p-10 -39.66 100.11 0.21 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.405 ' N ' ' O ' ' A' ' 98' ' ' GLU . 18.3 Cg_endo -75.0 -5.95 17.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.534 1.807 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.61 ' O ' ' HB3' ' A' ' 102' ' ' ALA . 3.2 t0 -160.82 -45.49 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.133 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.61 ' HB3' ' O ' ' A' ' 101' ' ' ASP . . . 77.71 36.22 0.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.679 HG13 ' N ' ' A' ' 104' ' ' ALA . 1.3 p -127.63 -158.94 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.679 ' N ' HG13 ' A' ' 103' ' ' VAL . . . -115.31 -65.0 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 1.158 . . . . 0.0 109.248 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.8 p-10 -53.41 156.15 2.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 109.298 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.1 t -146.64 161.88 9.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.67 ' O ' ' HB3' ' A' ' 108' ' ' ALA . 0.0 OUTLIER -130.22 -154.98 0.67 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 110.311 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 107' ' ' GLN . . . 81.56 43.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 109.341 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.429 ' NH2' ' O ' ' A' ' 107' ' ' GLN . 0.0 OUTLIER -117.21 54.59 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.271 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.6 HD22 ' H ' ' A' ' 111' ' ' GLU . 2.3 tm? -132.02 134.06 45.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.563 1.164 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.6 ' H ' HD22 ' A' ' 110' ' ' LEU . 7.1 mm-40 -146.4 59.83 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.33 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 53.08 -179.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 0.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.56 -59.65 0.85 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 54.2 171.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.522 1.139 . . . . 0.0 109.999 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 109.282 -179.984 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.48 ' N ' ' CD ' ' A' ' 2' ' ' PRO . 1.4 ttt . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.525 0.203 . . . . 0.0 111.062 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 1' ' ' MET . 18.2 Cg_endo -75.09 -7.92 19.51 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.575 1.829 . . . . 0.0 111.012 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.726 ' O ' HG13 ' A' ' 3' ' ' VAL . 8.9 p -141.4 76.57 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.616 HG22 ' CD ' ' A' ' 7' ' ' GLU . 6.6 t -84.05 -174.38 5.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 110.414 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.454 ' N ' ' OG1' ' A' ' 4' ' ' THR . 2.4 tp60 -57.92 -65.17 0.68 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.751 ' O ' ' HB3' ' A' ' 10' ' ' ALA . 0.2 OUTLIER -51.52 -19.01 1.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.587 1.179 . . . . 0.0 110.251 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.616 ' CD ' HG22 ' A' ' 4' ' ' THR . 0.0 OUTLIER -75.32 -45.03 42.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 110.322 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 1.092 HD12 HG13 ' A' ' 74' ' ' VAL . 4.1 mt -91.77 -3.57 10.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.373 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.595 ' O ' ' HB2' ' A' ' 13' ' ' ALA . 2.7 mt -105.36 -42.15 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 109.395 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.751 ' HB3' ' O ' ' A' ' 6' ' ' GLU . . . -93.32 -36.44 12.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.36 -41.94 83.92 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.458 1.099 . . . . 0.0 110.94 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.447 HD11 HG21 ' A' ' 51' ' ' THR . 1.0 OUTLIER -77.58 -53.46 14.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.509 0.77 . . . . 0.0 109.292 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.595 ' HB2' ' O ' ' A' ' 9' ' ' ILE . . . -41.5 -49.96 3.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -57.37 -43.17 83.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.425 ' N ' ' O ' ' A' ' 12' ' ' ILE . 98.9 mt -66.4 -47.75 83.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.68 HD12 ' CG1' ' A' ' 27' ' ' ILE . 21.8 mt -53.33 -34.12 22.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.227 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.479 ' CB ' ' O ' ' A' ' 22' ' ' ILE . 0.1 OUTLIER -76.44 3.67 10.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -110.79 -47.4 3.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.733 HG12 ' OG ' ' A' ' 43' ' ' SER . 3.3 t -76.28 -64.21 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.128 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.575 HG22 ' OG ' ' A' ' 43' ' ' SER . 45.8 p -79.17 -30.76 43.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 110.345 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.59 23.56 53.14 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.513 1.133 . . . . 0.0 111.063 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.483 HG22 ' N ' ' A' ' 23' ' ' GLU . 41.6 mt -82.73 165.56 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.453 0.737 . . . . 0.0 109.281 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.483 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -66.27 152.37 94.35 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.444 1.09 . . . . 0.0 110.209 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.475 ' O ' ' HB1' ' A' ' 13' ' ' ALA . 18.2 Cg_endo -75.0 -54.51 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.494 1.786 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.26 -23.56 67.48 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.469 1.106 . . . . 0.0 109.928 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.447 ' HB2' ' CB ' ' A' ' 23' ' ' GLU . 17.6 tt0 -61.39 -44.23 97.51 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.559 1.162 . . . . 0.0 110.342 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.894 ' O ' HG23 ' A' ' 28' ' ' THR . 0.7 OUTLIER -59.66 143.91 13.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.894 HG23 ' O ' ' A' ' 27' ' ' ILE . 0.2 OUTLIER -170.21 168.82 4.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.169 . . . . 0.0 110.392 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.413 ' HD2' ' HB ' ' A' ' 28' ' ' THR . 18.5 Cg_endo -74.99 49.01 2.14 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.55 1.816 . . . . 0.0 111.075 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -132.21 -29.41 1.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.33 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.901 ' NZ ' HD23 ' A' ' 37' ' ' LEU . 10.1 mmtt -49.58 167.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.369 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.557 ' O ' ' CB ' ' A' ' 33' ' ' PHE . 0.2 OUTLIER -129.31 23.33 5.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.028 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.817 ' CZ ' HD11 ' A' ' 64' ' ' LEU . 0.4 OUTLIER 78.97 -39.29 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 111.022 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.491 HG12 ' N ' ' A' ' 35' ' ' ASP . 1.0 OUTLIER -140.06 -54.31 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.317 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.491 ' N ' HG12 ' A' ' 34' ' ' VAL . 6.2 t70 -37.87 -31.54 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 34' ' ' VAL . 0.2 OUTLIER -106.73 -66.0 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.901 HD23 ' NZ ' ' A' ' 31' ' ' LYS . 79.1 mt -41.99 -56.39 2.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.03 14.2 8.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.352 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.658 HD13 ' O ' ' A' ' 39' ' ' ILE . 0.3 OUTLIER -95.44 -16.51 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.264 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.601 ' CB ' ' O ' ' A' ' 39' ' ' ILE . 7.7 t0 89.83 -172.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 109.348 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.5 p -90.47 3.45 53.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.005 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.56 -69.52 0.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.733 ' OG ' HG12 ' A' ' 19' ' ' VAL . 42.9 t -62.23 -53.88 48.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.945 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.792 ' HE1' ' CD2' ' A' ' 33' ' ' PHE . 4.3 mtm -42.64 -37.36 1.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.999 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 1.1 t -55.09 -40.0 52.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.57 ' O ' HG12 ' A' ' 49' ' ' VAL . 0.4 OUTLIER -69.45 -53.88 17.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.255 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.547 HD11 HG23 ' A' ' 20' ' ' THR . 3.5 mt -41.27 -41.69 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.545 1.153 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.79 ' HB1' ' OE1' ' A' ' 52' ' ' GLU . . . -77.49 -47.72 18.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.57 HG12 ' O ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER -47.8 -24.59 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 54' ' ' LYS . 46.6 mt-30 -91.78 -60.94 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.274 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.447 HG21 HD11 ' A' ' 12' ' ' ILE . 2.8 m -52.52 -34.83 51.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 110.391 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.79 ' OE1' ' HB1' ' A' ' 48' ' ' ALA . 8.3 mt-10 -78.88 -1.97 37.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.296 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.43 -62.0 1.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 50' ' ' GLN . 19.2 mtmt -43.63 -41.75 4.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.439 ' OH ' ' CG ' ' A' ' 7' ' ' GLU . 1.3 m-85 -103.13 -47.13 4.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.56 1.163 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 101.56 33.11 4.9 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.526 1.141 . . . . 0.0 111.035 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.745 HG22 ' HA ' ' A' ' 52' ' ' GLU . 21.7 m -72.11 148.89 9.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 0.78 . . . . 0.0 109.28 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.437 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -102.33 117.44 34.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 109.326 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.697 HG22 HD23 ' A' ' 64' ' ' LEU . 36.1 mt -154.29 74.67 6.04 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.315 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 172.42 16.4 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.57 1.826 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.407 ' HA ' ' HB3' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -56.92 -39.31 74.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.35 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -43.21 -26.61 0.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.266 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.689 ' CB ' ' CE2' ' A' ' 76' ' ' TYR . 0.1 OUTLIER -115.52 -39.42 3.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 109.313 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.817 HD11 ' CZ ' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -52.12 -21.78 3.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.55 -30.78 67.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 67' ' ' LEU . . . -91.97 -56.89 1.55 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.589 1.18 . . . . 0.0 110.956 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.005 HD13 ' HA ' ' A' ' 73' ' ' VAL . 10.4 mt -39.11 115.71 0.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 0.756 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.14 -52.8 2.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.277 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.907 ' O ' HG23 ' A' ' 73' ' ' VAL . 70.3 p -107.71 163.41 13.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.404 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.855 ' O ' HG23 ' A' ' 74' ' ' VAL . 16.1 t -53.29 -41.78 44.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -56.01 -36.09 66.23 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.563 1.164 . . . . 0.0 111.057 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.581 ' O ' HD22 ' A' ' 67' ' ' LEU . 4.5 t0 -85.85 -31.09 22.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.747 . . . . 0.0 109.301 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 1.005 ' HA ' HD13 ' A' ' 67' ' ' LEU . 16.4 t -79.18 -12.83 13.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.318 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 1.092 HG13 HD12 ' A' ' 8' ' ' ILE . 73.8 t -97.22 -49.09 12.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.918 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . . . -44.11 -56.59 3.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.689 ' CE2' ' CB ' ' A' ' 63' ' ' ASP . 4.3 t80 -48.34 -27.06 2.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.78 HD12 HD13 ' A' ' 8' ' ' ILE . 4.9 mt -74.49 -73.16 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 81' ' ' GLU . 35.6 mt-30 -59.17 -52.57 65.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 110.344 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.593 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 6.3 mmmt -37.52 -36.88 0.18 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.438 1.086 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.43 -50.45 11.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 78' ' ' GLN . 0.9 OUTLIER -48.63 -43.15 36.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.298 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.503 ' O ' ' CG ' ' A' ' 83' ' ' GLU . 0.2 OUTLIER -124.07 -104.2 0.37 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.253 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.503 ' CG ' ' O ' ' A' ' 82' ' ' GLU . 34.8 mt-10 -159.59 -72.94 0.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 1.154 . . . . 0.0 110.313 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 3.1 t30 65.68 82.06 0.21 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 54.88 3.77 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.527 1.804 . . . . 0.0 110.964 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 87' ' ' ALA . 15.5 tt0 -141.16 -73.03 0.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.706 ' HB3' ' HG ' ' A' ' 91' ' ' LEU . . . -179.78 -73.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.071 . . . . 0.0 109.37 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.918 ' HB2' ' HB2' ' A' ' 75' ' ' ALA . . . 176.65 -167.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.422 ' O ' ' HB2' ' A' ' 90' ' ' ALA . 21.4 mt-30 -86.55 80.57 8.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.43 ' O ' ' HA ' ' A' ' 100' ' ' PRO . . . 179.06 -57.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.871 HD13 ' O ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -46.9 148.3 1.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.266 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.531 ' N ' HD22 ' A' ' 91' ' ' LEU . 0.6 OUTLIER -165.83 47.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -175.78 -68.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.551 1.157 . . . . 0.0 109.394 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.682 ' O ' HD23 ' A' ' 91' ' ' LEU . 2.3 mttp -97.46 165.57 11.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.603 ' O ' ' HB2' ' A' ' 87' ' ' ALA . 2.8 mp -75.33 -57.9 5.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.73 -78.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -171.93 122.59 0.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.112 . . . . 0.0 109.934 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -114.5 -63.83 1.4 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.13 . . . . 0.0 110.31 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 170.57 135.31 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.43 ' HA ' ' O ' ' A' ' 90' ' ' ALA . 18.4 Cg_endo -75.04 -5.06 16.3 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.512 1.796 . . . . 0.0 111.043 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -164.9 123.62 1.75 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.276 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -150.05 39.9 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.697 HG13 ' N ' ' A' ' 104' ' ' ALA . 1.1 p -138.0 -158.47 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 0.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.697 ' N ' HG13 ' A' ' 103' ' ' VAL . . . 78.77 35.34 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 12.1 p30 176.96 161.24 0.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.793 HG13 ' N ' ' A' ' 107' ' ' GLN . 1.9 p -149.27 -149.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.793 ' N ' HG13 ' A' ' 106' ' ' VAL . 1.0 OUTLIER 65.61 144.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -103.35 16.69 25.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 42.57 60.93 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.284 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 68.2 tp -109.33 138.02 46.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.572 ' O ' ' HB2' ' A' ' 112' ' ' ALA . 7.2 mm-40 -138.01 -148.2 0.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.572 ' HB2' ' O ' ' A' ' 111' ' ' GLU . . . 171.64 65.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.339 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.7 -30.82 41.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.355 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.9 m 52.61 -176.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 109.95 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 stop_ save_