data_1v2y_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 1v2y _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.2 ptm -154.67 157.31 37.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 0.763 . . . . 0.0 110.972 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 m -105.93 100.43 9.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.366 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.0 t -94.39 118.21 39.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -82.49 137.2 34.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 70.5 t -120.5 86.51 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.4 t -68.55 81.03 0.27 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 108.308 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.1 mtp -121.34 124.01 27.45 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.967 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 108.83 2.81 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.507 1.793 . . . . 0.0 111.051 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.458 ' CG1' ' CB ' ' A' ' 36' ' ' ALA . 71.8 t -102.49 151.03 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.463 ' O ' ' CG1' ' A' ' 24' ' ' VAL . 14.7 p -114.88 144.98 21.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.463 ' CG1' ' O ' ' A' ' 23' ' ' VAL . 15.7 m -157.71 170.66 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.418 HG21 ' N ' ' A' ' 28' ' ' ALA . 32.3 m -70.69 155.93 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -20.4 21.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 110.273 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -127.44 58.27 1.47 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.418 ' N ' HG21 ' A' ' 25' ' ' VAL . . . -89.04 176.72 6.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 72.2 p -130.85 -177.82 4.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 110.41 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.422 ' N ' HD21 ' A' ' 79' ' ' LEU . 83.7 t -61.13 -40.41 85.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.446 ' CG ' ' HB3' ' A' ' 75' ' ' ASP . 1.4 mt -58.51 -64.47 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -40.64 -56.4 2.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.258 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.463 ' CD1' HD13 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -39.87 -51.89 2.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.569 ' HG2' ' CE3' ' A' ' 60' ' ' TRP . 0.7 OUTLIER -58.15 -53.77 54.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.85 -47.48 67.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.458 ' CB ' ' CG1' ' A' ' 22' ' ' VAL . . . -56.94 -61.67 2.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.463 HD13 ' CD1' ' A' ' 33' ' ' LEU . 71.5 mt -41.68 -35.89 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.463 ' NE2' ' HE1' ' A' ' 60' ' ' TRP . 6.0 mt-30 -78.7 -42.34 28.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -70.29 -6.37 34.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.338 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.44 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 4.0 t80 -87.49 -37.48 16.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.1 t -93.66 -34.64 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -67.36 -66.36 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.25 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.428 ' CD2' ' O ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -49.82 -43.17 48.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.097 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -55.08 -58.55 7.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -52.71 -50.16 63.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.274 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.499 ' HB3' ' CD1' ' A' ' 60' ' ' TRP . 90.2 m95 -61.96 -27.71 69.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 108.034 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.8 m -52.67 -60.43 3.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.022 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -66.08 -47.31 74.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.7 t -46.98 -59.05 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.569 ' CE3' ' HG2' ' A' ' 34' ' ' LYS . 50.7 m95 -62.32 -37.49 85.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 107.985 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.65 39.99 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.532 HG21 ' CE2' ' A' ' 63' ' ' TYR . 33.0 m -155.35 -45.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.535 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 98.7 m-85 -118.86 159.86 22.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -124.31 -178.99 4.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.632 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.428 HD22 ' CZ ' ' A' ' 92' ' ' PHE . 58.0 mt -108.01 123.08 48.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.455 ' CG2' ' HB ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -119.99 160.9 21.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.407 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.9 t -133.17 -62.52 0.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.98 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -161.26 69.86 0.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.11 -29.91 5.78 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -79.19 107.64 12.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -78.76 113.81 17.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.436 HD21 ' CD1' ' A' ' 82' ' ' TYR . 10.2 mt -80.45 83.96 6.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.36 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 72.6 p -109.57 -54.75 2.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.422 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.51 127.5 29.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.446 ' HB3' ' CG ' ' A' ' 31' ' ' LEU . 8.5 m-20 -94.91 -28.02 15.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.81 -2.59 37.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.332 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -105.87 121.66 44.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -63.56 148.12 49.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.422 HD21 ' N ' ' A' ' 30' ' ' VAL . 34.7 mt -62.58 -39.64 94.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.159 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.52 -21.75 11.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.81 -28.8 27.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.436 ' CD1' HD21 ' A' ' 72' ' ' LEU . 8.4 m-85 -77.6 -12.95 60.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 101.35 9.64 43.84 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.8 mt -92.79 125.33 45.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -122.89 -175.15 3.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.412 ' OD1' ' C ' ' A' ' 86' ' ' ASN . 4.6 t-20 -63.06 140.95 58.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 20.4 mtt180 63.74 57.56 1.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -115.37 169.44 9.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -117.55 109.67 16.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.302 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.5 t -118.05 148.45 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.22 168.15 19.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 110.008 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.428 ' CZ ' HD22 ' A' ' 65' ' ' LEU . 4.8 m-85 -91.17 163.1 14.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.455 ' HB ' ' CG2' ' A' ' 66' ' ' THR . 15.6 tt -142.51 158.61 19.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.535 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 1.0 OUTLIER -110.1 129.59 55.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.976 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.432 ' CG ' HG21 ' A' ' 24' ' ' VAL . 1.2 ptm -151.75 155.34 38.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.761 . . . . 0.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.8 m -102.54 102.19 12.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 110.421 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.2 t -98.19 120.94 48.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.9 mtt-85 -89.03 145.55 25.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.426 HG11 ' CE2' ' A' ' 92' ' ' PHE . 47.3 t -114.66 138.52 44.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.9 t -104.31 85.42 2.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 108.3 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.4 mtmt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.7 t . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.8 mtp -139.28 122.52 10.7 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.987 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 108.69 2.77 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.506 1.793 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.458 ' CG2' HG12 ' A' ' 37' ' ' ILE . 96.0 t -102.68 150.53 6.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.446 ' O ' ' CG1' ' A' ' 24' ' ' VAL . 12.3 p -115.39 148.87 17.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.468 ' HB ' ' CB ' ' A' ' 28' ' ' ALA . 4.7 m -159.04 170.68 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.417 HG22 ' N ' ' A' ' 28' ' ' ALA . 24.0 m -76.17 143.54 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -40.91 -40.94 1.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.334 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -109.39 49.88 0.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.468 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -74.29 176.27 6.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 30.8 p -131.04 -175.61 3.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.394 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 74' ' ' GLU . 91.6 t -61.56 -49.58 83.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.349 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.76 -55.49 22.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.27 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 33' ' ' LEU . 5.5 t70 -43.83 -53.66 5.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.521 ' CD1' ' CD1' ' A' ' 37' ' ' ILE . 0.4 OUTLIER -39.03 -71.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.538 ' HG2' ' CE3' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -45.81 -58.09 3.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -44.1 -50.38 8.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 39' ' ' ARG . . . -56.64 -67.25 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.521 ' CD1' ' CD1' ' A' ' 33' ' ' LEU . 96.1 mt -39.87 -32.03 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.421 ' OE1' ' NE1' ' A' ' 60' ' ' TRP . 3.9 mt-30 -76.21 -49.37 17.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.463 ' O ' ' CD2' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -66.16 -9.04 27.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.333 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -85.54 -36.53 20.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.4 t -93.75 -35.17 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -67.33 -67.3 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.463 ' CD2' ' O ' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -48.55 -44.95 36.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.0 tttt -54.24 -66.88 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -48.31 -53.57 16.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 70.0 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -66.76 -47.53 71.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 108.014 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 61' ' ' ARG . 3.0 m -39.46 -60.89 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.007 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -54.54 -49.22 70.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 111.04 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.4 t -50.59 -51.99 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.538 ' CE3' ' HG2' ' A' ' 34' ' ' LYS . 45.4 m95 -69.74 -27.39 64.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 108.037 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 57' ' ' SER . 0.1 OUTLIER -90.69 36.18 0.9 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.578 1.174 . . . . 0.0 110.295 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.9 m -157.94 -44.81 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.501 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 97.9 m-85 -118.81 161.23 20.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -141.69 167.03 23.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.612 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.521 ' CD1' ' CE1' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -89.05 122.66 32.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.421 ' OG1' ' N ' ' A' ' 67' ' ' SER . 2.7 t -105.76 175.39 5.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.355 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.421 ' N ' ' OG1' ' A' ' 66' ' ' THR . 4.8 t 166.04 150.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 109.977 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 43.5 45.42 5.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 46.99 41.91 14.8 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -136.42 136.25 39.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 0.746 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -85.77 119.05 25.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.434 ' CG ' ' O ' ' A' ' 65' ' ' LEU . 6.0 mt -89.78 88.33 7.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 70.4 p -111.12 -36.02 5.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.409 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.494 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -65.04 122.87 18.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.92 -35.03 26.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -69.4 -34.17 74.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.343 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.446 ' HG2' ' CE2' ' A' ' 82' ' ' TYR . 17.4 tttt -69.48 129.07 38.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -76.17 155.57 34.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.422 HD22 ' N ' ' A' ' 30' ' ' VAL . 21.3 mt -67.66 -45.24 75.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -57.29 -17.43 11.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.27 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.48 -10.41 54.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.446 ' CE2' ' HG2' ' A' ' 77' ' ' LYS . 1.9 m-85 -102.87 -1.93 28.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.937 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.93 17.79 50.0 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.531 1.144 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 21.7 mt -98.05 107.36 20.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 0.739 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -99.96 -174.75 2.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.355 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -74.22 148.97 41.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.3 mtm-85 65.74 31.22 9.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.314 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -100.1 158.86 15.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -106.01 122.71 46.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.27 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.6 t -111.66 157.49 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.17 166.9 18.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.012 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.521 ' CE1' ' CD1' ' A' ' 65' ' ' LEU . 0.7 OUTLIER -106.3 127.03 52.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.3 tt -111.9 167.61 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.501 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 10.2 tttt -118.83 133.47 55.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.54 169.98 19.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 110.956 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -118.87 95.91 5.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.415 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.459 ' CG1' HD22 ' A' ' 33' ' ' LEU . 88.1 t -88.23 112.53 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.0 mtt-85 -81.48 133.46 35.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 110.3 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.449 ' CG2' HD11 ' A' ' 37' ' ' ILE . 5.0 t -116.59 91.83 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 14' ' ' LYS . 28.6 t -74.23 84.76 1.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 108.286 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 13' ' ' CYS . 52.3 mtmt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.6 mtm -116.91 122.93 30.79 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.406 ' O ' ' CE2' ' A' ' 40' ' ' TYR . 18.2 Cg_endo -74.95 108.48 2.73 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.562 1.822 . . . . 0.0 111.043 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.494 ' CG1' ' CB ' ' A' ' 36' ' ' ALA . 47.2 t -102.4 146.18 10.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.422 ' N ' HG12 ' A' ' 22' ' ' VAL . 68.8 t -114.09 145.39 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.43 ' HB ' ' CB ' ' A' ' 28' ' ' ALA . 4.2 m -150.54 175.35 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.405 HG22 ' N ' ' A' ' 28' ' ' ALA . 25.1 m -72.09 145.63 12.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.6 -25.89 0.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -128.35 65.54 1.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.344 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.43 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -94.57 177.96 5.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.229 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.2 p -129.59 -175.53 3.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.433 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.484 ' CG2' ' O ' ' A' ' 74' ' ' GLU . 91.2 t -58.17 -63.06 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 tp -42.98 -58.29 2.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 33' ' ' LEU . 19.2 t0 -42.08 -57.59 2.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.47 ' CD1' HD11 ' A' ' 37' ' ' ILE . 0.4 OUTLIER -40.13 -59.03 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.556 ' HG2' ' CE3' ' A' ' 60' ' ' TRP . 0.8 OUTLIER -51.94 -57.74 8.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.113 . . . . 0.0 109.27 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -42.67 -48.27 5.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.494 ' CB ' ' CG1' ' A' ' 22' ' ' VAL . . . -58.04 -65.97 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.47 HD11 ' CD1' ' A' ' 33' ' ' LEU . 77.5 mt -39.43 -35.77 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.41 ' OE1' ' NE1' ' A' ' 60' ' ' TRP . 3.8 mt-30 -76.15 -49.9 16.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 36' ' ' ALA . 2.5 mtt180 -69.2 -6.86 31.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.112 . . . . 0.0 110.274 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.445 ' N ' ' O ' ' A' ' 36' ' ' ALA . 62.2 t80 -83.51 -45.15 13.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 89.8 t -87.04 -43.57 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -67.61 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.459 ' CD1' ' C ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -48.7 -42.73 35.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 109.267 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -49.68 -71.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -48.05 -52.78 18.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 67.6 m95 -52.99 -50.57 63.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 108.02 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 61' ' ' ARG . 10.4 t -39.66 -57.84 1.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.03 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -61.05 -48.55 81.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.8 t -51.88 -39.91 26.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.556 ' CE3' ' HG2' ' A' ' 34' ' ' LYS . 68.3 m95 -81.31 -30.09 34.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 108.022 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 57' ' ' SER . 0.0 OUTLIER -90.3 36.82 0.88 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.526 HG21 ' CE1' ' A' ' 63' ' ' TYR . 3.1 m -161.47 -44.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.362 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.526 ' CE1' HG21 ' A' ' 62' ' ' THR . 84.6 m-85 -110.41 140.96 44.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -116.2 163.43 15.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.612 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.56 HD22 ' CZ ' ' A' ' 92' ' ' PHE . 35.1 mt -94.08 121.92 36.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.91 160.42 16.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.392 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.1 t -135.9 -87.91 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.33 -85.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.082 . . . . 0.0 109.328 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -134.65 24.58 3.49 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -126.78 152.19 47.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 0.778 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.465 ' CE ' HD13 ' A' ' 93' ' ' ILE . 5.0 mttp -101.82 112.75 25.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.432 HD23 ' CD1' ' A' ' 82' ' ' TYR . 14.8 mt -68.33 86.89 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.7 p -111.06 -64.47 1.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.409 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.484 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -44.46 137.28 3.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.264 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.01 -47.64 5.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -56.86 -20.48 23.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.2 tttt -84.58 132.45 34.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.67 154.12 30.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.418 HD22 ' N ' ' A' ' 30' ' ' VAL . 34.7 mt -62.27 -37.32 85.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.492 ' CZ ' ' OD1' ' A' ' 81' ' ' ASP . 0.4 OUTLIER -60.57 -31.26 70.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 110.323 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.492 ' OD1' ' CZ ' ' A' ' 80' ' ' ARG . 2.7 m-20 -74.61 -17.19 60.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.432 ' CD1' HD23 ' A' ' 72' ' ' LEU . 1.2 m-85 -91.49 -3.15 56.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 93.3 6.13 63.13 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.512 1.133 . . . . 0.0 110.996 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.43 HG22 ' N ' ' A' ' 85' ' ' ARG . 68.1 mt -85.91 154.54 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.745 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.474 ' N ' ' CD ' ' A' ' 85' ' ' ARG . 0.0 OUTLIER -148.15 -174.3 4.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -66.87 144.48 56.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 57.55 61.01 2.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -115.27 172.6 6.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -118.91 109.2 15.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.334 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.6 t -111.88 148.22 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.95 165.14 22.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.0 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.56 ' CZ ' HD22 ' A' ' 65' ' ' LEU . 0.5 OUTLIER -96.67 149.66 21.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 111.0 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.465 HD13 ' CE ' ' A' ' 71' ' ' LYS . 16.1 tt -142.41 161.98 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.506 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 0.5 OUTLIER -118.39 149.75 40.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 30.5 mtpt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.0 -179.47 6.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 0.794 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -124.46 98.14 5.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.405 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.431 ' CG1' HD23 ' A' ' 33' ' ' LEU . 93.7 t -92.65 106.52 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 -78.17 119.8 22.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.444 HG11 ' CE2' ' A' ' 92' ' ' PHE . 17.6 t -99.33 95.73 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 51.3 t -77.48 83.52 3.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 108.315 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.251 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.503 ' HE3' ' CD2' ' A' ' 40' ' ' TYR . 6.5 mtp -124.25 123.75 25.92 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 111.06 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 108.48 2.72 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.782 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.475 ' CG1' ' CB ' ' A' ' 36' ' ' ALA . 63.3 t -104.35 150.2 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.153 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.9 t -114.07 145.64 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.465 ' HB ' ' CB ' ' A' ' 28' ' ' ALA . 15.3 m -153.94 168.68 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.407 HG23 ' N ' ' A' ' 28' ' ' ALA . 13.5 m -61.53 159.34 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -57.19 -16.96 9.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 110.333 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -141.51 65.47 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.465 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -87.36 179.42 6.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.3 p -131.05 -177.46 4.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.412 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.421 ' CG2' ' O ' ' A' ' 74' ' ' GLU . 70.3 t -58.32 -44.9 89.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.6 tp -57.41 -59.62 4.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -44.65 -57.02 3.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.463 ' CD1' HD12 ' A' ' 37' ' ' ILE . 0.4 OUTLIER -40.6 -59.2 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 109.268 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.453 ' HG2' ' CE3' ' A' ' 60' ' ' TRP . 0.1 OUTLIER -49.82 -60.2 3.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.24 -51.14 14.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.475 ' CB ' ' CG1' ' A' ' 22' ' ' VAL . . . -50.44 -65.63 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.463 HD12 ' CD1' ' A' ' 33' ' ' LEU . 74.4 mt -40.19 -33.08 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.404 ' N ' ' C ' ' A' ' 36' ' ' ALA . 2.5 mt-30 -78.84 -53.11 7.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -8.86 22.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.514 ' CD2' HG21 ' A' ' 41' ' ' VAL . 43.0 t80 -79.9 -42.6 23.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.514 HG21 ' CD2' ' A' ' 40' ' ' TYR . 82.6 t -94.83 -50.62 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -42.9 -70.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.34 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mt -50.14 -34.21 21.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.04 -66.25 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.147 . . . . 0.0 109.34 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -52.97 -43.02 66.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.561 ' HB3' ' CD1' ' A' ' 60' ' ' TRP . 75.2 m95 -53.26 -34.94 59.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 108.02 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.437 ' O ' ' CB ' ' A' ' 61' ' ' ARG . 16.7 m -49.63 -58.53 5.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -61.15 -53.36 57.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 73.5 t -47.69 -58.47 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.561 ' CD1' ' HB3' ' A' ' 56' ' ' TRP . 44.0 m95 -63.17 -38.32 90.69 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.437 ' CB ' ' O ' ' A' ' 57' ' ' SER . 0.3 OUTLIER -88.65 41.55 1.03 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 110.284 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.469 HG23 ' CE1' ' A' ' 63' ' ' TYR . 17.5 m -158.36 -45.21 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 110.404 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.469 ' CE1' HG23 ' A' ' 62' ' ' THR . 83.3 m-85 -121.61 161.47 22.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -130.97 176.57 8.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.613 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.565 HD22 ' CZ ' ' A' ' 92' ' ' PHE . 4.5 mt -104.52 131.61 51.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 67' ' ' SER . 1.6 t -108.3 174.85 5.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.375 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.443 ' N ' ' OG1' ' A' ' 66' ' ' THR . 1.0 OUTLIER -179.23 132.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.047 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 69.52 -64.56 0.34 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.253 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 67' ' ' SER . . . 170.74 39.43 0.03 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.453 1.096 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -146.16 159.98 42.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 0.787 . . . . 0.0 110.299 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -90.27 118.89 30.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.659 ' CD2' ' CD1' ' A' ' 82' ' ' TYR . 15.0 mt -80.87 79.17 7.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.8 p -105.57 -19.76 13.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 110.366 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.421 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.5 OUTLIER -76.38 115.05 15.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.03 -33.8 33.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -75.58 -18.06 59.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.401 ' CB ' ' HB3' ' A' ' 74' ' ' GLU . 2.4 tttt -85.21 122.39 29.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.23 159.72 30.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 95.3 mt -65.83 -41.61 91.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.53 -23.6 58.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 110.339 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -72.42 -17.4 61.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.659 ' CD1' ' CD2' ' A' ' 72' ' ' LEU . 14.9 m-85 -102.55 12.36 36.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 111.056 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 77.68 24.27 65.35 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 33.3 mt -95.95 128.16 47.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 0.779 . . . . 0.0 109.253 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -126.09 -175.38 3.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -63.29 135.56 57.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 63.13 69.74 0.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.29 165.38 17.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -112.6 113.63 25.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.4 t -111.84 151.98 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.21 167.26 17.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.025 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.565 ' CZ ' HD22 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -102.88 130.53 49.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.978 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.5 tt -110.31 169.18 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.424 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 11.8 tttt -115.15 149.43 37.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.401 ' N ' ' HG2' ' A' ' 94' ' ' LYS . 5.6 mtpt . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.403 ' SD ' ' O ' ' A' ' 25' ' ' VAL . 1.5 ptm -149.2 171.9 15.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 0.769 . . . . 0.0 110.977 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -124.48 103.41 8.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.394 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.463 ' CG1' HD23 ' A' ' 33' ' ' LEU . 88.1 t -98.19 98.49 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -71.83 112.04 7.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 110.278 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.514 ' CG1' ' O ' ' A' ' 12' ' ' VAL . 0.3 OUTLIER -90.77 114.1 27.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.0 m -89.61 88.72 7.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 108.319 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.4 ' HA ' ' CD1' ' A' ' 92' ' ' PHE . 54.0 mtmt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.571 ' HE1' ' CD1' ' A' ' 40' ' ' TYR . 3.6 mtp -128.84 125.62 23.01 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 109.55 2.95 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.484 1.781 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.457 ' CG1' ' CB ' ' A' ' 36' ' ' ALA . 57.6 t -101.91 151.92 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.6 p -119.22 146.35 24.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.442 ' HB ' ' CB ' ' A' ' 28' ' ' ALA . 11.3 m -153.68 -179.53 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.414 HG22 ' N ' ' A' ' 28' ' ' ALA . 34.8 m -76.33 156.23 5.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -19.09 4.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.1 p-10 -132.23 61.36 1.66 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.442 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -87.97 170.09 11.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 29.8 p -131.08 170.31 14.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 110.391 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 74' ' ' GLU . 55.0 t -44.94 -42.6 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.9 tp -58.44 -64.55 0.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 33' ' ' LEU . 5.8 t70 -41.26 -54.55 2.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.463 HD23 ' CG1' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -40.2 -62.77 0.7 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.84 -56.17 15.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -46.64 -45.75 19.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.457 ' CB ' ' CG1' ' A' ' 22' ' ' VAL . . . -58.6 -69.08 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.457 HD12 ' CD1' ' A' ' 33' ' ' LEU . 42.4 mt -40.88 -32.14 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -75.6 -56.84 4.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -66.15 -8.15 22.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.571 ' CD1' ' HE1' ' A' ' 20' ' ' MET . 35.6 t80 -83.6 -40.53 18.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 111.04 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 65.8 t -94.72 -44.96 13.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -50.84 -70.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 44' ' ' LYS . 3.9 mt -52.0 -59.92 3.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 43' ' ' LEU . 1.5 ttpt -40.14 -58.48 1.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -57.31 -47.79 80.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.269 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.9 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.002 -0.369 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 77.5 m95 -66.97 -39.67 87.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 108.003 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.6 m -44.21 -60.42 1.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.965 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.421 ' O ' ' N ' ' A' ' 61' ' ' ARG . 36.2 t80 -60.91 -51.6 68.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.4 t -45.14 -51.92 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -70.3 -30.22 67.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 107.975 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -91.01 38.83 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.27 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.57 HG22 ' CE2' ' A' ' 63' ' ' TYR . 89.1 m -154.93 -44.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.424 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.57 ' CE2' HG22 ' A' ' 62' ' ' THR . 96.4 m-85 -121.44 149.91 42.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -118.79 165.29 14.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.605 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.495 HD23 ' CZ ' ' A' ' 92' ' ' PHE . 54.3 mt -94.04 137.99 32.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.435 ' OG1' ' N ' ' A' ' 67' ' ' SER . 3.6 t -129.59 178.06 6.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.383 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 69' ' ' GLY . 1.5 t 175.08 137.33 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.949 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 69.5 -64.55 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.341 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 67' ' ' SER . . . 167.81 40.5 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -146.5 140.67 26.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.752 . . . . 0.0 110.287 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -79.04 118.51 21.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.486 ' CD2' ' CD1' ' A' ' 82' ' ' TYR . 2.1 mt -89.33 84.04 6.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 66.6 p -104.6 -37.95 6.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.379 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.495 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -57.77 130.78 48.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.25 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.54 -39.03 9.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.7 mmt85 -66.17 -17.45 64.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 110.34 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -86.05 141.47 29.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.19 151.79 22.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 26.9 mt -64.53 -39.35 93.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.27 -17.5 53.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.274 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.12 -10.62 43.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.486 ' CD1' ' CD2' ' A' ' 72' ' ' LEU . 1.0 OUTLIER -101.21 -1.72 33.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 111.043 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 100.64 -9.96 58.96 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.506 1.129 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 49.8 mt -79.68 116.28 23.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 0.769 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 30.6 mmm-85 -118.1 -174.69 2.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.4 ' HA ' ' CB ' ' A' ' 8' ' ' MET . 4.2 t30 -55.09 137.48 46.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 62.28 60.24 1.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.57 -176.53 3.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -135.54 140.51 44.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.2 t -134.21 152.41 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.01 168.12 13.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.989 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.495 ' CZ ' HD23 ' A' ' 65' ' ' LEU . 5.6 m-85 -104.86 135.46 46.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.1 tt -119.39 167.4 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.446 ' HB2' ' CE1' ' A' ' 63' ' ' TYR . 12.7 ttmt -114.06 149.9 34.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.401 ' N ' ' HG2' ' A' ' 94' ' ' LYS . 17.1 mttt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.467 ' SD ' ' CG2' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -139.87 173.71 11.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 111.024 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -123.97 105.6 9.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.425 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.1 t -101.53 124.79 55.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.436 ' HG2' ' CG1' ' A' ' 19' ' ' VAL . 0.2 OUTLIER -96.4 139.11 33.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.472 ' CG2' HD11 ' A' ' 37' ' ' ILE . 3.0 t -101.3 123.28 54.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 t -89.54 83.39 6.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 108.317 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.436 ' CG1' ' HG2' ' A' ' 11' ' ' ARG . 27.8 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.7 mtp -124.64 122.46 25.74 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.556 ' O ' ' CE2' ' A' ' 40' ' ' TYR . 18.4 Cg_endo -75.01 109.25 2.89 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.45 1.763 . . . . 0.0 111.048 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.453 ' CG2' HG12 ' A' ' 37' ' ' ILE . 85.5 t -103.35 150.27 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 109.373 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.7 p -119.71 144.65 27.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.467 ' CG2' ' SD ' ' A' ' 8' ' ' MET . 20.2 m -153.16 163.3 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.415 HG21 ' N ' ' A' ' 28' ' ' ALA . 35.3 m -58.83 153.47 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.76 -20.29 3.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -136.31 66.85 1.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.087 . . . . 0.0 109.341 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.415 ' N ' HG21 ' A' ' 25' ' ' VAL . . . -90.91 178.98 5.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 42.0 p -127.54 -176.1 3.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.388 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.47 ' CG2' ' O ' ' A' ' 74' ' ' GLU . 82.9 t -61.18 -38.07 78.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 tp -61.95 -60.83 3.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 33' ' ' LEU . 3.1 t0 -41.15 -55.45 2.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.562 ' CD1' ' CD1' ' A' ' 37' ' ' ILE . 0.4 OUTLIER -39.9 -70.56 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.472 ' HG2' ' CZ3' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -44.16 -61.27 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -42.54 -58.23 2.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 40' ' ' TYR . . . -46.9 -67.64 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.562 ' CD1' ' CD1' ' A' ' 33' ' ' LEU . 71.7 mt -39.52 -33.64 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -78.79 -55.46 5.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.325 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.485 ' O ' ' CD2' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -62.0 -12.16 17.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 110.348 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.556 ' CE2' ' O ' ' A' ' 21' ' ' PRO . 58.6 t80 -81.5 -42.82 19.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.3 t -91.98 -45.28 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.338 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -50.57 -69.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.485 ' CD2' ' O ' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -46.96 -39.77 13.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.84 -71.1 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -54.74 -41.32 70.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.331 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 24.5 m95 -58.78 -46.47 87.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 107.991 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.473 ' O ' ' CB ' ' A' ' 61' ' ' ARG . 2.3 m -40.79 -56.5 2.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 110.01 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -58.99 -55.66 32.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 41.6 t -44.57 -62.78 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.472 ' CZ3' ' HG2' ' A' ' 34' ' ' LYS . 69.9 m95 -60.55 -36.5 78.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 107.993 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.473 ' CB ' ' O ' ' A' ' 57' ' ' SER . 0.2 OUTLIER -87.44 43.66 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.9 m -161.63 -43.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.37 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -120.3 141.34 50.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -112.59 174.63 5.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.618 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.572 ' CD2' ' CE1' ' A' ' 92' ' ' PHE . 17.2 mt -108.89 121.08 44.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.2 t -112.87 178.19 4.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.387 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 70' ' ' GLU . 6.8 t 171.5 147.43 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.961 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 46.83 30.99 1.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 65.51 35.99 91.97 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 67' ' ' SER . 0.7 OUTLIER -137.6 137.75 38.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 110.28 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.5 mttt -76.64 126.8 31.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.543 HD22 ' CE1' ' A' ' 82' ' ' TYR . 8.0 mt -93.89 71.02 4.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.8 p -98.43 -45.35 6.16 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.151 . . . . 0.0 110.448 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.47 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -51.51 125.35 14.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.248 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.51 -37.28 12.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 22.3 mmt-85 -63.47 -26.6 68.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.414 ' CE ' ' HB3' ' A' ' 81' ' ' ASP . 27.1 tttt -76.95 154.33 33.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -98.02 153.03 18.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 43.0 mt -61.31 -37.13 82.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.3 ttt85 -62.83 -47.94 81.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.414 ' HB3' ' CE ' ' A' ' 77' ' ' LYS . 13.6 m-20 -58.09 -17.94 21.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.543 ' CE1' HD22 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -91.7 -6.66 51.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 111.024 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 99.65 3.85 56.07 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 10.6 mt -94.08 104.86 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 0.762 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -104.88 -174.72 2.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 110.334 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.433 ' HA ' ' CB ' ' A' ' 8' ' ' MET . 3.6 p-10 -57.49 136.0 56.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 64.82 63.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -128.15 158.74 37.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -112.48 128.84 56.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.3 t -110.61 152.57 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.255 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.98 166.15 11.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.991 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.572 ' CE1' ' CD2' ' A' ' 65' ' ' LEU . 1.6 m-85 -114.63 124.17 51.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.5 tt -105.75 163.36 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 38.7 tttt -108.49 162.5 14.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.467 ' CG ' HG23 ' A' ' 24' ' ' VAL . 1.2 ptm -147.89 157.25 43.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.772 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 m -105.15 108.13 19.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.414 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.3 t -106.74 124.06 62.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.469 ' HG2' ' CG1' ' A' ' 19' ' ' VAL . 2.6 mpt_? -87.76 158.81 18.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.407 HG21 ' CD1' ' A' ' 37' ' ' ILE . 74.5 t -133.23 131.18 58.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.6 t -102.31 84.57 2.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 108.302 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.469 ' CG1' ' HG2' ' A' ' 11' ' ' ARG . 61.7 t . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.2 mtp -125.73 122.38 24.63 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.998 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 108.88 2.81 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.456 1.766 . . . . 0.0 111.054 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.456 ' CG2' HG12 ' A' ' 37' ' ' ILE . 95.7 t -101.63 150.87 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.0 t -117.5 136.3 55.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.467 HG23 ' CG ' ' A' ' 8' ' ' MET . 0.7 OUTLIER -145.61 -177.19 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.423 ' CG2' ' HB3' ' A' ' 28' ' ' ALA . 18.3 m -82.68 151.56 4.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -51.14 -21.29 1.87 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.097 . . . . 0.0 110.288 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -135.08 66.31 1.53 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.423 ' HB3' ' CG2' ' A' ' 25' ' ' VAL . . . -95.81 173.95 7.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.256 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.3 p -125.27 -176.58 3.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 110.398 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.406 ' N ' HD22 ' A' ' 79' ' ' LEU . 92.1 t -58.39 -45.38 89.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.466 ' CG ' ' HB3' ' A' ' 75' ' ' ASP . 0.6 OUTLIER -54.07 -61.66 2.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.254 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 33' ' ' LEU . 8.2 m-20 -43.32 -54.79 4.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.465 ' CD1' ' CD1' ' A' ' 37' ' ' ILE . 0.3 OUTLIER -39.81 -52.61 2.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.331 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.461 ' HG2' ' CE3' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -57.86 -52.1 66.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.22 -51.15 59.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.425 ' CB ' ' CG1' ' A' ' 22' ' ' VAL . . . -52.39 -70.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.465 ' CD1' ' CD1' ' A' ' 33' ' ' LEU . 87.2 mt -39.81 -34.36 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.423 ' HG2' ' CE2' ' A' ' 56' ' ' TRP . 3.1 mt-30 -73.96 -62.92 1.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.463 ' O ' ' CD2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -53.58 -18.89 3.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -76.57 -42.04 44.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.8 t -87.19 -47.26 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -53.89 -69.31 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.493 ' CD1' ' C ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -43.27 -37.76 2.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.112 . . . . 0.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.85 -72.2 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -50.8 -41.91 57.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.541 1.15 . . . . 0.0 110.288 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.264 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.423 ' CE2' ' HG2' ' A' ' 38' ' ' GLN . 60.5 m95 -73.93 -38.49 64.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 108.023 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -39.79 -62.02 0.76 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -49.36 -52.86 25.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 77.7 t -47.21 -56.1 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.461 ' CE3' ' HG2' ' A' ' 34' ' ' LYS . 50.9 m95 -65.15 -27.93 69.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 107.98 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.3 39.98 0.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.486 HG21 ' CE1' ' A' ' 63' ' ' TYR . 5.1 m -159.61 -43.69 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.387 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.531 ' CE2' ' HG3' ' A' ' 94' ' ' LYS . 89.3 m-85 -116.29 151.86 35.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.457 ' HB2' ' CG2' ' A' ' 93' ' ' ILE . 80.9 m-70 -118.02 171.87 7.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.599 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.566 HD21 ' CE1' ' A' ' 92' ' ' PHE . 87.3 mt -110.54 132.05 54.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.96 159.83 22.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.387 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.448 ' O ' ' CB ' ' A' ' 68' ' ' ALA . 0.2 OUTLIER -163.94 127.19 2.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 110.001 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 67' ' ' SER . . . 79.74 -52.65 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 172.73 -31.19 0.11 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -74.14 169.51 17.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 0.0 110.33 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -106.92 117.18 33.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 65' ' ' LEU . 14.2 mt -71.8 108.95 5.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 68.1 p -128.05 -45.65 1.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.397 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.15 120.03 11.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.466 ' HB3' ' CG ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -86.37 -36.18 19.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -67.44 -18.17 64.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.328 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.48 ' HD3' ' CE2' ' A' ' 82' ' ' TYR . 11.6 tttt -88.73 125.12 34.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.41 160.12 28.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.264 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.406 HD22 ' N ' ' A' ' 30' ' ' VAL . 20.9 mt -68.55 -35.08 76.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.097 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -60.9 -42.24 97.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.437 ' HB3' ' CE ' ' A' ' 77' ' ' LYS . 17.2 m-20 -54.78 -29.65 54.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.48 ' CE2' ' HD3' ' A' ' 77' ' ' LYS . 6.2 m-85 -85.83 3.14 42.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 84.16 9.74 81.65 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.529 1.143 . . . . 0.0 111.043 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 50.9 mt -79.96 141.43 15.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.474 0.749 . . . . 0.0 109.339 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.1 mmt85 -133.98 -172.29 2.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -75.81 144.96 41.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 71.39 31.17 2.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -91.28 -179.05 5.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -134.18 116.13 15.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.3 t -104.45 151.93 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.53 161.59 25.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.959 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.566 ' CE1' HD21 ' A' ' 65' ' ' LEU . 0.7 OUTLIER -106.14 151.88 24.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.457 ' CG2' ' HB2' ' A' ' 64' ' ' HIS . 1.3 tt -135.77 161.34 38.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.531 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 7.8 tttt -116.33 134.53 54.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 8.7 mttt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.29 166.94 26.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 0.796 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -118.93 97.49 5.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.367 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 22' ' ' VAL . 98.9 t -87.17 114.52 26.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.4 mtt85 -83.06 117.37 22.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.331 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 73.9 t -96.61 98.92 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.349 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 14' ' ' LYS . 3.2 m -84.9 91.59 8.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 108.257 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 13' ' ' CYS . 54.0 mtmt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.7 mtp -115.98 122.33 32.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 111.036 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 109.25 2.9 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.436 1.756 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 10' ' ' VAL . 99.2 t -103.46 150.41 6.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.485 ' O ' ' CG1' ' A' ' 24' ' ' VAL . 79.4 t -113.78 153.0 15.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.485 ' CG1' ' O ' ' A' ' 23' ' ' VAL . 5.4 m -160.52 173.94 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.9 m -73.82 152.77 7.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -21.94 1.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -131.24 63.58 1.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.465 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -91.05 178.17 6.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.579 1.175 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 82.3 p -128.83 -174.5 3.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.364 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.402 ' N ' HD22 ' A' ' 79' ' ' LEU . 86.8 t -64.14 -46.4 93.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.477 ' CD2' ' HE2' ' A' ' 35' ' ' LYS . 1.1 mt -52.56 -64.94 0.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.268 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 33' ' ' LEU . 1.2 m-20 -40.17 -55.29 2.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.47 ' CD1' HD13 ' A' ' 37' ' ' ILE . 0.4 OUTLIER -39.81 -50.22 2.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.413 ' HG2' ' CZ3' ' A' ' 60' ' ' TRP . 1.1 mptp? -67.09 -48.78 67.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.477 ' HE2' ' CD2' ' A' ' 31' ' ' LEU . 39.9 mttm -50.98 -53.39 33.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 40' ' ' TYR . . . -53.67 -63.19 1.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.47 HD13 ' CD1' ' A' ' 33' ' ' LEU . 55.2 mt -39.35 -35.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -76.14 -50.23 15.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -68.28 -6.49 24.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.434 ' O ' ' CB ' ' A' ' 44' ' ' LYS . 8.1 t80 -86.07 -39.05 17.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 111.029 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.4 t -94.94 -42.42 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -54.81 -70.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mt -51.79 -52.21 50.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 40' ' ' TYR . 17.4 tttt -46.04 -59.19 3.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -55.49 -53.84 51.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.326 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.0 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 81.9 m95 -70.93 -45.88 63.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 107.988 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.2 m -41.0 -50.69 3.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.976 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -63.97 -50.74 67.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 110.977 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.7 t -50.77 -53.79 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.413 ' CZ3' ' HG2' ' A' ' 34' ' ' LYS . 40.8 m95 -65.38 -34.1 77.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 108.015 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -90.76 37.74 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.1 m -157.29 -47.06 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.389 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.444 ' CE1' ' HB2' ' A' ' 94' ' ' LYS . 72.4 m-85 -112.88 160.92 17.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.428 1.08 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -133.53 171.42 14.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.605 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.573 HD23 ' CZ ' ' A' ' 92' ' ' PHE . 28.2 mt -102.66 138.29 39.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.13 166.54 15.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.412 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.493 ' OG ' ' CD2' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -167.99 128.55 1.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.022 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 69.17 -64.9 0.31 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 67' ' ' SER . . . 173.32 38.56 0.04 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.506 1.128 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -140.62 145.06 36.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -79.82 119.31 22.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.493 ' CD2' ' OG ' ' A' ' 67' ' ' SER . 21.7 mt -80.1 86.78 5.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.4 p -107.67 -59.93 1.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.411 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.05 121.1 3.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.467 ' HB3' ' CD1' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -91.26 -35.89 14.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.113 . . . . 0.0 109.284 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -12.64 56.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.245 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.4 tttt -90.34 149.0 22.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.96 146.32 23.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.145 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.402 HD22 ' N ' ' A' ' 30' ' ' VAL . 38.1 mt -58.37 -42.12 86.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.58 -36.5 74.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.07 -15.41 63.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -95.65 -3.01 46.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 97.3 5.91 57.87 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.551 1.157 . . . . 0.0 111.022 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 24.0 mt -92.53 103.89 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -102.62 -174.56 2.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -61.29 139.71 58.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 62.11 60.61 1.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -114.42 172.47 7.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -122.17 109.06 14.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.1 t -107.28 147.44 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.12 167.11 15.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.02 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.573 ' CZ ' HD23 ' A' ' 65' ' ' LEU . 0.6 OUTLIER -102.25 138.95 38.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 111.03 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.7 tt -118.54 163.02 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.444 ' HB2' ' CE1' ' A' ' 63' ' ' TYR . 4.4 ttmt -114.08 147.15 39.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.404 ' N ' ' HG2' ' A' ' 94' ' ' LYS . 5.5 mtpt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.417 ' CB ' ' HA ' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -146.49 174.1 11.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 110.996 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -118.08 99.68 7.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.384 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.466 ' CG1' HD21 ' A' ' 33' ' ' LEU . 99.4 t -93.4 107.42 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.2 mtt85 -76.76 139.11 40.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.9 t -120.27 83.97 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.0 t -67.64 80.73 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 108.312 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -179.932 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.6 p . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.2 mtp -112.55 122.7 35.69 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 108.78 2.8 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.44 1.758 . . . . 0.0 110.964 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.453 ' CG2' HG12 ' A' ' 37' ' ' ILE . 94.1 t -104.58 150.05 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.9 t -115.7 145.38 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.459 ' HB ' ' CB ' ' A' ' 28' ' ' ALA . 3.5 m -151.84 179.61 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.407 HG21 ' N ' ' A' ' 28' ' ' ALA . 34.3 m -75.53 150.17 6.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -44.28 -36.94 2.98 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -118.26 60.33 0.79 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.459 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -77.87 178.54 7.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 78.6 p -131.21 -175.51 3.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.386 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 74' ' ' GLU . 88.0 t -64.07 -55.58 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.241 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 tp -54.52 -56.29 20.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.9 OUTLIER -41.2 -58.26 1.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.494 ' CD1' ' CD1' ' A' ' 37' ' ' ILE . 0.6 OUTLIER -39.04 -60.26 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.532 ' HG2' ' CZ3' ' A' ' 60' ' ' TRP . 0.3 OUTLIER -49.83 -56.32 10.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -43.29 -44.23 5.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 40' ' ' TYR . . . -64.07 -66.1 0.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.494 ' CD1' ' CD1' ' A' ' 33' ' ' LEU . 80.5 mt -39.83 -35.14 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.444 ' HG2' ' CD1' ' A' ' 56' ' ' TRP . 7.2 mt-30 -74.83 -55.73 5.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.439 ' O ' ' CD2' ' A' ' 43' ' ' LEU . 14.4 mmt85 -64.18 -10.49 23.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' ALA . 39.9 t80 -82.44 -41.3 20.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 39.0 t -93.33 -44.52 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -52.06 -63.54 1.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.34 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.49 ' CD1' ' C ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -51.75 -40.73 60.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -62.25 1.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 46' ' ' GLU . 56.8 mt-30 -58.17 -49.27 77.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 59.4 m . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.444 ' CD1' ' HG2' ' A' ' 38' ' ' GLN . 77.5 m95 -76.19 -41.42 49.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 108.017 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.0 m -44.79 -53.95 6.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.071 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -55.21 -47.76 74.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 38.5 t -51.18 -55.41 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.347 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.532 ' CZ3' ' HG2' ' A' ' 34' ' ' LYS . 37.5 m95 -63.89 -27.51 69.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 107.993 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -91.4 36.41 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.54 HG22 ' CE2' ' A' ' 63' ' ' TYR . 91.3 m -157.26 -48.7 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.404 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.565 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 96.9 m-85 -119.61 159.52 24.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 -121.87 174.87 6.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.54 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.538 HD23 ' CE1' ' A' ' 92' ' ' PHE . 59.0 mt -104.38 112.56 25.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.425 ' CG2' ' HB ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -111.64 162.28 15.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.406 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.4 t -137.34 -53.22 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.971 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -171.96 70.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.59 -35.35 3.63 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -76.92 101.45 5.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 110.284 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.9 mttp -76.24 111.16 11.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.4 mt -71.84 88.89 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 74' ' ' GLU . 69.2 p -112.45 -72.77 0.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.424 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.485 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -41.1 136.36 1.57 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 110.338 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.53 -44.15 7.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -61.59 -22.08 64.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.448 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 9.5 tttt -79.5 141.47 36.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.09 145.11 25.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 52.1 mt -57.08 -33.15 67.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 20.3 ttt-85 -62.99 -42.07 99.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -67.93 -15.98 63.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.448 ' CD2' ' HG2' ' A' ' 77' ' ' LYS . 0.7 OUTLIER -88.75 -13.1 40.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 111.016 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 103.3 3.04 47.9 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.417 HG21 ' N ' ' A' ' 85' ' ' ARG . 62.5 mt -87.97 152.81 3.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.498 0.763 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.417 ' N ' HG21 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -152.93 -175.23 5.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.417 ' HA ' ' CB ' ' A' ' 8' ' ' MET . 25.4 t30 -43.65 158.26 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 86' ' ' ASN . 24.2 mtt180 37.44 67.77 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.279 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -110.49 140.62 44.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -95.61 110.78 22.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.5 t -118.86 151.72 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.95 161.35 38.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.538 ' CE1' HD23 ' A' ' 65' ' ' LEU . 2.5 m-85 -88.95 143.17 27.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.425 ' HB ' ' CG2' ' A' ' 66' ' ' THR . 13.4 tt -125.33 159.29 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.565 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 1.9 tttt -108.13 130.94 55.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.441 ' CG ' HG21 ' A' ' 24' ' ' VAL . 2.3 ptm -150.83 154.89 38.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.749 . . . . 0.0 111.017 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.8 m -102.75 105.11 15.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 110.394 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.4 t -101.36 119.76 50.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.247 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -88.95 148.0 24.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.0 t -117.65 140.78 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.5 t -110.71 86.02 2.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 108.302 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 53.3 t . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.5 mtp -128.53 122.45 21.76 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 108.52 2.74 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.487 1.782 . . . . 0.0 111.045 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.435 ' CG2' HG12 ' A' ' 37' ' ' ILE . 70.7 t -101.82 152.65 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.8 p -118.11 146.1 23.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.462 ' HB ' ' CB ' ' A' ' 28' ' ' ALA . 3.5 m -157.08 172.3 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.428 HG23 ' CA ' ' A' ' 28' ' ' ALA . 11.0 m -72.31 153.6 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.84 -21.29 7.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -129.7 56.26 1.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.173 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.462 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -85.23 174.07 9.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.6 p -130.39 177.76 7.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.428 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.6 t -51.51 -55.64 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 tp -48.04 -57.09 6.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -44.55 -56.41 4.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.451 ' CD1' ' CD1' ' A' ' 37' ' ' ILE . 0.2 OUTLIER -39.98 -54.68 2.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.448 ' HG2' ' CZ3' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -55.48 -54.39 44.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.25 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -47.9 -54.59 12.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.93 -66.73 0.34 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.451 ' CD1' ' CD1' ' A' ' 33' ' ' LEU . 85.8 mt -40.03 -34.52 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -75.54 -50.98 13.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.342 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.491 ' O ' ' CD2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -64.02 -10.78 23.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -84.8 -39.02 18.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.1 t -93.85 -40.7 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.2 tm0? -57.92 -69.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.491 ' CD2' ' O ' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -44.19 -39.8 4.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.245 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -57.48 -65.17 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -47.42 -46.8 26.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 110.288 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 13.8 m95 -56.74 -50.75 71.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 107.968 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 61' ' ' ARG . 27.5 m -39.47 -59.31 1.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.027 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -58.33 -44.87 88.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 111.037 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 40.1 t -54.78 -60.27 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.448 ' CZ3' ' HG2' ' A' ' 34' ' ' LYS . 51.9 m95 -62.59 -31.2 71.99 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.453 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 0.2 OUTLIER -89.64 44.89 1.23 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.554 HG21 ' CD2' ' A' ' 63' ' ' TYR . 1.6 m -162.85 -50.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.412 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.56 ' CE1' ' HB2' ' A' ' 94' ' ' LYS . 80.1 m-85 -108.95 163.92 12.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -138.88 165.24 27.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.611 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.55 HD22 ' CE1' ' A' ' 92' ' ' PHE . 11.8 mt -93.25 138.26 31.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -132.37 165.59 23.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 110.401 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 69' ' ' GLY . 1.2 t -164.83 133.28 3.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.982 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 68.9 -65.35 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 109.292 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 67' ' ' SER . . . 170.91 38.66 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -138.43 125.08 20.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.757 . . . . 0.0 110.282 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -64.93 112.69 3.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.432 ' CD2' ' CD1' ' A' ' 82' ' ' TYR . 8.3 mt -81.25 79.34 7.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 109.343 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.7 p -97.78 -50.62 4.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.61 135.3 23.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.88 -42.71 6.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -62.25 -14.11 35.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -87.96 131.9 34.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -77.64 150.12 34.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.9 mt -60.64 -42.21 96.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.498 1.123 . . . . 0.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.61 -29.87 62.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.27 -14.72 59.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.432 ' CD1' ' CD2' ' A' ' 72' ' ' LEU . 0.7 OUTLIER -96.8 -0.8 47.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.569 1.168 . . . . 0.0 110.993 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.93 -8.45 70.43 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.555 1.159 . . . . 0.0 111.004 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 76.4 mt -78.02 126.73 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.767 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 29.9 mmt85 -125.53 -174.06 2.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 110.265 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -63.49 142.63 58.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 61.34 54.56 3.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -116.62 172.3 7.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -122.9 117.65 26.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.9 t -104.33 155.26 5.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.45 160.51 26.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.996 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.55 ' CE1' HD22 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -109.07 124.25 50.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.973 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.1 tt -107.45 167.19 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 63' ' ' TYR . 10.8 tttt -116.55 141.0 48.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.2 mttp . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.984 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.74 169.88 22.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -122.58 100.29 6.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.39 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.408 ' N ' ' O ' ' A' ' 22' ' ' VAL . 91.4 t -91.63 138.85 18.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.481 ' HB3' ' CG2' ' A' ' 19' ' ' VAL . 12.7 mtp85 -101.81 148.61 25.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.42 HG21 ' CD1' ' A' ' 37' ' ' ILE . 94.2 t -126.39 80.28 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.5 t -69.77 86.1 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 108.303 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.2 mtmt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.481 ' CG2' ' HB3' ' A' ' 11' ' ' ARG . 2.0 p . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.421 ' HB3' ' CE2' ' A' ' 40' ' ' TYR . 21.0 mtm -126.58 125.65 24.46 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 105.04 2.0 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 0.0 111.033 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.421 ' CG1' ' CB ' ' A' ' 36' ' ' ALA . 47.9 t -99.23 147.47 7.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.9 t -115.83 147.96 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.447 ' HB ' ' CB ' ' A' ' 28' ' ' ALA . 5.7 m -155.69 170.49 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.42 HG22 ' N ' ' A' ' 28' ' ' ALA . 34.0 m -63.82 155.26 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.04 -29.2 12.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -126.96 66.41 1.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.343 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.447 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -88.31 176.41 7.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 69.7 p -128.49 -173.81 3.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.443 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' A' ' 74' ' ' GLU . 70.7 t -64.27 -44.31 97.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.9 tp -55.04 -65.26 0.61 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.54 -56.13 2.66 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.466 ' CD1' HD12 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -39.76 -65.88 0.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.527 ' HG2' ' CE3' ' A' ' 60' ' ' TRP . 1.4 mptp? -44.52 -63.44 0.9 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.85 -60.7 1.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.108 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 39' ' ' ARG . . . -43.64 -65.75 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.466 HD12 ' CD1' ' A' ' 33' ' ' LEU . 71.1 mt -39.78 -37.46 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 109.284 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -77.07 -46.49 23.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.501 ' O ' ' CD2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -68.27 -7.56 31.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.256 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.421 ' CE2' ' HB3' ' A' ' 20' ' ' MET . 69.1 t80 -86.52 -37.99 17.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.4 t -93.89 -39.28 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.41 -67.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.501 ' CD2' ' O ' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -47.71 -40.23 19.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.73 -65.29 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -47.96 -57.99 5.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 110.301 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.4 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -74.86 -45.83 40.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 107.993 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 61' ' ' ARG . 2.0 m -40.14 -60.98 0.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.966 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -45.4 -53.53 8.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.9 t -50.88 -52.56 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.527 ' CE3' ' HG2' ' A' ' 34' ' ' LYS . 73.4 m95 -64.58 -26.09 68.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 107.99 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 57' ' ' SER . 0.0 OUTLIER -93.13 19.36 8.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.277 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.568 HG21 ' CD2' ' A' ' 63' ' ' TYR . 1.4 m -140.48 -48.96 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.568 ' CD2' HG21 ' A' ' 62' ' ' THR . 98.7 m-85 -110.05 172.21 7.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 53.7 m-70 -148.98 166.37 28.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.61 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.557 HD22 ' CZ ' ' A' ' 92' ' ' PHE . 13.5 mt -93.86 131.87 38.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.406 ' OG1' ' N ' ' A' ' 67' ' ' SER . 1.1 t -106.58 171.83 7.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 110.381 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.454 ' HB3' ' CD2' ' A' ' 72' ' ' LEU . 8.8 t 171.25 143.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.003 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 67' ' ' SER . . . 39.98 60.89 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 39.26 35.88 0.51 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.111 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 67' ' ' SER . 0.6 OUTLIER -139.75 151.08 45.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 0.747 . . . . 0.0 110.318 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.94 135.7 33.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.454 ' CD2' ' HB3' ' A' ' 67' ' ' SER . 13.9 mt -95.3 87.94 4.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.4 p -111.99 -52.32 2.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 110.356 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.493 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -48.31 128.44 14.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.56 -39.11 10.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.77 -25.12 68.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.44 1.088 . . . . 0.0 110.276 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -78.75 146.72 33.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -93.84 149.08 21.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 46.7 mt -56.4 -39.59 73.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -55.83 -42.62 75.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -61.87 -24.59 67.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -89.75 10.92 21.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.64 28.65 64.91 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.532 1.145 . . . . 0.0 110.959 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 10.7 mt -104.86 112.85 40.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 0.77 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -108.75 -174.44 2.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.256 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 87' ' ' ARG . 7.6 t30 -63.3 155.73 27.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.451 ' N ' ' OD1' ' A' ' 86' ' ' ASN . 15.0 mtt180 47.97 57.03 6.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.81 163.53 14.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -115.8 138.33 51.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.355 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.4 t -138.47 151.28 24.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.33 166.28 17.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.023 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.557 ' CZ ' HD22 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -100.19 140.75 33.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.992 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.7 tt -114.89 160.08 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -105.81 135.11 47.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.435 ' SD ' ' CG2' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -142.26 -178.23 5.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 0.788 . . . . 0.0 111.043 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -128.46 100.08 5.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.41 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 92.7 t -96.89 116.37 38.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.459 ' HB3' ' CG2' ' A' ' 19' ' ' VAL . 26.4 mtt-85 -86.79 141.81 28.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 110.274 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.468 HG23 ' CD1' ' A' ' 37' ' ' ILE . 73.0 t -120.99 86.61 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 14' ' ' LYS . 4.3 m -69.38 83.36 0.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 108.296 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 13' ' ' CYS . 47.9 mtmt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.459 ' CG2' ' HB3' ' A' ' 11' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.473 ' HB3' ' CE2' ' A' ' 40' ' ' TYR . 25.4 mtm -118.48 123.34 29.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 105.53 2.1 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.797 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.524 ' CG1' ' CB ' ' A' ' 36' ' ' ALA . 47.2 t -100.81 150.1 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.3 t -116.91 147.0 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.449 ' HB ' ' CB ' ' A' ' 28' ' ' ALA . 21.4 m -154.17 165.33 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.407 HG23 ' N ' ' A' ' 28' ' ' ALA . 20.5 m -58.44 155.64 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -55.48 -18.23 6.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.279 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -135.12 63.88 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.449 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -90.78 175.44 7.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.438 HG22 ' CG ' ' A' ' 78' ' ' LYS . 38.4 p -129.43 -176.82 4.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.387 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 74' ' ' GLU . 55.3 t -58.52 -42.18 83.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.1 tp -58.03 -64.94 0.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -40.27 -55.35 2.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.463 ' CD1' HD13 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -40.19 -58.04 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -51.97 -61.47 2.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.25 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -41.37 -52.93 3.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.524 ' CB ' ' CG1' ' A' ' 22' ' ' VAL . . . -53.49 -67.93 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.468 ' CD1' HG23 ' A' ' 12' ' ' VAL . 86.3 mt -39.62 -33.4 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.402 ' N ' ' C ' ' A' ' 36' ' ' ALA . 8.8 mt-30 -76.42 -56.57 4.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.265 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.83 -14.21 13.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.473 ' CE2' ' HB3' ' A' ' 20' ' ' MET . 93.5 t80 -77.12 -48.78 16.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.5 t -87.08 -48.3 15.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -46.74 -59.46 3.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.326 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.486 ' CD1' ' C ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -57.28 -39.99 76.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -51.14 -72.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -44.78 -49.28 10.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 0.0 110.293 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.3 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.442 ' HB3' ' CD1' ' A' ' 60' ' ' TRP . 22.4 m95 -55.26 -34.2 63.84 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 61' ' ' ARG . 39.4 m -50.21 -56.85 9.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.967 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -57.39 -49.22 76.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.6 t -52.37 -64.14 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.442 ' CD1' ' HB3' ' A' ' 56' ' ' TRP . 64.9 m95 -57.36 -26.81 61.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 108.009 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.412 ' O ' ' CG ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -95.78 35.14 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.507 HG22 ' CE2' ' A' ' 63' ' ' TYR . 64.3 m -156.54 -45.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.426 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.559 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 95.0 m-85 -122.57 147.81 45.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -118.77 175.71 5.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.622 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.569 HD21 ' CE1' ' A' ' 92' ' ' PHE . 42.0 mt -99.52 132.35 44.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.6 169.72 10.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 69' ' ' GLY . 1.0 OUTLIER -178.03 132.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.002 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 69.43 -64.69 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 67' ' ' SER . . . 169.58 39.66 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -143.22 133.49 24.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 110.273 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 61.7 mttt -72.14 113.76 9.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.554 ' CD2' ' CD1' ' A' ' 82' ' ' TYR . 14.3 mt -78.12 87.98 4.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.7 p -114.78 -52.51 2.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.452 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.504 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -48.03 124.2 7.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.338 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.63 -42.28 11.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.15 -32.37 68.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -74.36 147.02 42.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.438 ' CG ' HG22 ' A' ' 29' ' ' THR . 0.0 OUTLIER -97.93 150.57 21.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.412 HD23 ' N ' ' A' ' 30' ' ' VAL . 19.7 mt -55.4 -37.64 67.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -59.12 -43.4 91.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.58 -11.93 61.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.554 ' CD1' ' CD2' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -90.84 -7.23 52.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.976 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 99.11 -5.88 59.53 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.517 1.135 . . . . 0.0 111.022 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.502 ' CG2' ' CG ' ' A' ' 88' ' ' ASP . 20.3 mt -81.55 148.99 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.417 ' N ' HG21 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -143.71 -175.36 4.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 110.319 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -57.31 130.39 46.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 18.8 mtm180 65.15 73.3 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.322 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.502 ' CG ' ' CG2' ' A' ' 84' ' ' ILE . 6.2 p-10 -120.94 -175.6 3.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -128.11 115.99 19.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.2 t -119.94 150.55 22.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.62 166.59 23.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.958 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.569 ' CE1' HD21 ' A' ' 65' ' ' LEU . 1.2 m-85 -100.51 127.28 46.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 3.2 tt -107.7 166.49 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.559 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 35.0 tttt -109.77 134.64 51.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.6 mttp . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.359 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.456 ' SD ' ' CG2' ' A' ' 24' ' ' VAL . 0.6 OUTLIER -147.33 173.08 12.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 0.76 . . . . 0.0 110.972 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -124.5 98.15 5.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.444 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.419 ' N ' ' O ' ' A' ' 22' ' ' VAL . 89.1 t -92.2 122.65 43.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.465 ' HB3' ' CG2' ' A' ' 19' ' ' VAL . 5.3 mtt180 -86.87 145.73 26.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.405 ' CG2' HD11 ' A' ' 37' ' ' ILE . 70.9 t -118.97 79.08 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 14' ' ' LYS . 28.6 t -68.49 88.16 0.33 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 108.297 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 13' ' ' CYS . 3.8 mtmt . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.465 ' CG2' ' HB3' ' A' ' 11' ' ' ARG . 3.1 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.571 ' HE3' ' CE1' ' A' ' 40' ' ' TYR . 3.8 mtp -113.97 122.74 34.09 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 109.45 2.93 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.508 1.794 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.482 ' CG1' ' CB ' ' A' ' 36' ' ' ALA . 67.5 t -102.17 149.63 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.429 ' O ' ' CG1' ' A' ' 24' ' ' VAL . 54.1 t -114.3 143.4 24.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.456 ' CG2' ' SD ' ' A' ' 8' ' ' MET . 35.1 m -154.81 159.29 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.418 HG22 ' N ' ' A' ' 28' ' ' ALA . 25.7 m -48.49 156.66 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -17.2 13.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 54.9 m-20 -137.72 62.62 1.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.42 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -89.04 176.05 7.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.9 p -131.01 -176.09 3.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.432 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.416 ' CG2' ' O ' ' A' ' 74' ' ' GLU . 46.7 t -55.12 -47.29 77.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.1 tp -54.97 -62.38 1.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -40.46 -58.24 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.557 ' CD1' ' CD1' ' A' ' 37' ' ' ILE . 0.3 OUTLIER -40.76 -58.26 1.7 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.431 ' HG2' ' CZ3' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -54.62 -45.42 73.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -58.45 -37.47 75.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.482 ' CB ' ' CG1' ' A' ' 22' ' ' VAL . . . -67.57 -70.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.557 ' CD1' ' CD1' ' A' ' 33' ' ' LEU . 55.0 mt -39.97 -31.06 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.422 ' N ' ' C ' ' A' ' 36' ' ' ALA . 4.6 mt-30 -70.17 -56.69 6.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.446 ' O ' ' CD2' ' A' ' 43' ' ' LEU . 1.2 mpt_? -69.04 -6.57 28.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.571 ' CE1' ' HE3' ' A' ' 20' ' ' MET . 12.7 t80 -86.58 -38.52 17.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 91.8 t -94.28 -38.4 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -61.32 -67.7 0.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.336 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.501 ' CD1' ' C ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -42.68 -38.8 2.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -60.5 -71.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -44.07 -36.82 2.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.267 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.6 p . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 26.8 m95 -64.82 -35.79 82.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 108.011 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.456 ' O ' ' CB ' ' A' ' 61' ' ' ARG . 0.2 OUTLIER -47.09 -59.36 3.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.969 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -64.1 -49.28 72.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 110.967 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 54.9 t -46.89 -66.67 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.431 ' CZ3' ' HG2' ' A' ' 34' ' ' LYS . 44.7 m95 -57.39 -37.94 73.48 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.456 ' CB ' ' O ' ' A' ' 57' ' ' SER . 0.3 OUTLIER -88.48 43.64 1.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.264 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.537 HG23 ' CE2' ' A' ' 63' ' ' TYR . 23.2 m -157.52 -46.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 110.359 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.537 ' CE2' HG23 ' A' ' 62' ' ' THR . 96.7 m-85 -124.06 168.89 12.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -138.19 176.12 8.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.598 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.525 ' CD2' ' CE1' ' A' ' 92' ' ' PHE . 21.9 mt -101.7 134.28 45.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.246 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.13 168.61 15.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.396 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.522 ' O ' ' CB ' ' A' ' 68' ' ' ALA . 0.2 OUTLIER 176.3 126.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.025 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 67' ' ' SER . . . 85.21 -47.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.251 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 157.02 -23.56 0.47 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.78 160.7 22.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 0.759 . . . . 0.0 110.358 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -97.81 118.81 35.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.1 mt -74.88 85.64 2.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.4 p -116.21 -8.8 11.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.145 . . . . 0.0 110.399 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.416 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 1.5 mp0 -89.67 109.12 20.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.291 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -76.8 -27.52 55.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.5 mmt85 -81.88 -20.41 38.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.518 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 9.5 tttt -84.67 124.68 31.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -73.79 151.07 40.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.406 HD22 ' N ' ' A' ' 30' ' ' VAL . 17.2 mt -59.83 -39.27 84.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -59.77 -41.65 91.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -64.53 -18.15 64.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.518 ' CD2' ' HG2' ' A' ' 77' ' ' LYS . 0.8 OUTLIER -92.99 -1.18 56.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 91.29 8.35 64.51 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.545 1.153 . . . . 0.0 111.027 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.508 ' CG2' ' CG ' ' A' ' 88' ' ' ASP . 47.6 mt -93.15 111.41 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.76 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -102.4 -175.0 2.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.152 . . . . 0.0 110.273 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -66.1 144.65 56.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.77 32.71 6.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.345 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.508 ' CG ' ' CG2' ' A' ' 84' ' ' ILE . 4.7 p-10 -85.87 -173.45 4.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -137.65 120.12 15.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.8 t -115.8 149.98 17.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.27 168.99 13.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.017 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.525 ' CE1' ' CD2' ' A' ' 65' ' ' LEU . 0.4 OUTLIER -107.34 130.23 54.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.969 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.8 tt -107.09 163.24 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.488 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 7.0 tttt -110.77 131.13 55.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.86 -176.91 6.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 111.063 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -125.38 100.08 6.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.385 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.425 ' CG1' HD21 ' A' ' 33' ' ' LEU . 88.4 t -98.42 109.55 24.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.458 ' HB3' ' CG1' ' A' ' 19' ' ' VAL . 80.4 mtt180 -79.62 116.21 19.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.469 HG22 ' CD1' ' A' ' 37' ' ' ILE . 4.2 p -91.77 143.49 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.3 t -111.75 93.22 4.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 108.306 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.958 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.458 ' CG1' ' HB3' ' A' ' 11' ' ' ARG . 55.1 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.3 mtp -123.92 122.32 26.31 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 107.66 2.54 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.501 1.79 . . . . 0.0 110.947 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.456 ' CG1' ' CB ' ' A' ' 36' ' ' ALA . 79.3 t -101.55 148.98 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 109.364 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.461 ' O ' ' CG1' ' A' ' 24' ' ' VAL . 13.1 p -115.56 147.42 18.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.473 ' HB ' ' CB ' ' A' ' 28' ' ' ALA . 16.0 m -157.61 166.18 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.422 HG23 ' N ' ' A' ' 28' ' ' ALA . 32.7 m -65.11 152.95 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.2 -27.44 8.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -124.6 59.21 1.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.473 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -85.58 175.87 8.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.8 p -131.08 178.89 6.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.377 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.9 t -53.89 -48.52 62.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.46 HD12 ' CB ' ' A' ' 75' ' ' ASP . 1.2 mt -54.08 -54.16 43.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.449 ' OD1' ' CG1' ' A' ' 24' ' ' VAL . 7.7 t70 -46.61 -54.36 9.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.463 ' CD1' HD12 ' A' ' 37' ' ' ILE . 0.4 OUTLIER -40.17 -53.15 2.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.558 ' HG2' ' CZ3' ' A' ' 60' ' ' TRP . 1.0 OUTLIER -63.29 -55.63 23.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.443 ' CE ' HD22 ' A' ' 31' ' ' LEU . 39.4 mttt -49.49 -27.1 3.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.456 ' CB ' ' CG1' ' A' ' 22' ' ' VAL . . . -78.74 -67.07 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.469 ' CD1' HG22 ' A' ' 12' ' ' VAL . 58.9 mt -40.64 -29.81 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.439 ' N ' ' C ' ' A' ' 36' ' ' ALA . 7.5 mt-30 -76.97 -49.3 15.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 36' ' ' ALA . 24.7 mmt180 -68.24 -6.72 25.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.428 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 5.1 t80 -85.64 -39.11 17.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.7 t -94.92 -43.3 12.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.8 -70.8 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 mt -52.19 -59.45 4.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 40' ' ' TYR . 82.7 tttt -40.52 -63.97 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -47.29 -51.32 19.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.587 1.179 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.323 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -48.0 -37.95 15.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 107.998 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -42.87 -61.58 1.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.996 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.548 ' CE1' ' OG1' ' A' ' 62' ' ' THR . 27.8 t80 -62.73 -42.52 99.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 111.038 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 54.4 t -47.35 -53.62 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.558 ' CZ3' ' HG2' ' A' ' 34' ' ' LYS . 29.1 m95 -68.88 -27.14 65.53 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.57 26.64 2.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.345 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.548 ' OG1' ' CE1' ' A' ' 58' ' ' TYR . 1.2 m -150.65 -47.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.438 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.506 ' CD2' HG22 ' A' ' 62' ' ' THR . 97.1 m-85 -113.2 160.29 18.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.949 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -126.73 177.43 6.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.606 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 31.4 mt -108.4 117.14 33.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -115.43 162.97 16.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.39 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.6 t -133.5 -61.74 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.008 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -162.26 73.51 0.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.76 -36.07 3.52 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.512 1.133 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -80.74 117.03 21.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.763 . . . . 0.0 110.238 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.8 mttt -82.57 115.78 21.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.7 mt -76.98 92.0 3.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 76.0 p -120.08 -58.54 1.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.87 121.65 4.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.337 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.46 ' CB ' HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -91.62 -38.85 12.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -63.1 -12.22 25.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.26 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -97.06 138.61 34.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.098 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -81.45 154.04 26.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.6 mt -63.74 -41.45 98.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -59.31 -24.15 63.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.262 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.58 -8.57 59.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -106.59 -1.4 22.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 98.72 -11.74 62.77 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 73.1 mt -76.57 124.17 34.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 85' ' ' ARG . 5.6 mmm180 -124.47 -175.49 3.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.324 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -59.37 144.88 45.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.98 57.23 1.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -118.73 172.36 7.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -132.81 110.63 10.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.9 t -103.24 149.09 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -120.45 168.68 11.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.012 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -101.2 163.05 12.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.105 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 7.6 tt -143.42 155.77 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.7 tttt -107.69 136.22 47.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -147.97 170.68 17.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 111.027 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -120.81 95.5 4.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.396 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 22' ' ' VAL . 91.1 t -87.31 112.6 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.465 ' HB3' ' CG2' ' A' ' 19' ' ' VAL . 41.1 mtt180 -84.18 134.05 34.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.351 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.423 ' CG2' HD11 ' A' ' 37' ' ' ILE . 61.8 t -117.49 91.28 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 14' ' ' LYS . 3.5 m -74.35 84.77 1.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 108.268 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 13' ' ' CYS . 35.1 mtmt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.465 ' CG2' ' HB3' ' A' ' 11' ' ' ARG . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.442 ' HB3' ' CZ ' ' A' ' 40' ' ' TYR . 1.2 mtp -113.28 123.05 34.14 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 107.26 2.44 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.498 1.788 . . . . 0.0 110.955 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.505 ' CG1' ' CB ' ' A' ' 36' ' ' ALA . 45.7 t -103.34 146.88 10.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.3 t -117.2 142.13 32.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.463 ' HB ' ' CB ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -145.9 -176.18 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.431 HG21 ' N ' ' A' ' 28' ' ' ALA . 34.1 m -81.64 146.1 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -44.8 -27.92 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -122.82 60.81 1.02 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.463 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -92.93 170.49 9.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.409 HG23 ' CG ' ' A' ' 78' ' ' LYS . 29.4 p -130.91 -176.27 3.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.412 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 74' ' ' GLU . 48.2 t -57.01 -41.75 77.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 tp -54.52 -68.34 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.6 OUTLIER -42.87 -47.84 5.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.53 ' CD1' ' CD1' ' A' ' 37' ' ' ILE . 0.6 OUTLIER -38.76 -70.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.562 ' HG2' ' CE3' ' A' ' 60' ' ' TRP . 0.8 OUTLIER -49.45 -56.38 9.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -42.2 -42.93 3.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.505 ' CB ' ' CG1' ' A' ' 22' ' ' VAL . . . -67.36 -67.63 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.53 ' CD1' ' CD1' ' A' ' 33' ' ' LEU . 96.8 mt -39.81 -30.76 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.437 ' N ' ' C ' ' A' ' 36' ' ' ALA . 9.2 mt-30 -76.1 -49.68 16.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.486 ' O ' ' CD2' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -67.67 -8.1 32.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.332 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.473 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 2.8 t80 -85.17 -39.19 18.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.9 t -93.49 -41.6 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.38 -68.86 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.486 ' CD2' ' O ' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -43.47 -41.13 4.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -60.9 -70.76 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.25 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -44.45 -52.54 7.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.325 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.491 ' HB3' ' CD1' ' A' ' 60' ' ' TRP . 24.5 m95 -52.65 -46.79 67.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 107.996 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.06 -60.23 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.938 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -62.46 -52.33 63.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 47.8 t -47.63 -49.24 10.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.562 ' CE3' ' HG2' ' A' ' 34' ' ' LYS . 41.9 m95 -68.12 -31.94 71.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 107.986 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.59 39.95 0.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.34 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 83.8 m -155.2 -48.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.417 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.475 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 80.1 m-85 -116.9 153.7 32.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.406 ' NE2' ' HD2' ' A' ' 95' ' ' LYS . 96.4 m-70 -129.89 170.23 14.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.603 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.478 ' HG ' ' CD1' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -89.25 113.32 24.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.323 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.461 ' CG2' ' O ' ' A' ' 91' ' ' SER . 0.0 OUTLIER -105.81 161.97 13.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 110.399 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.7 t -158.09 -76.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.006 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.69 31.14 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.98 -27.61 7.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.09 116.59 18.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 0.756 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -66.74 112.35 4.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.53 HD21 ' CD1' ' A' ' 82' ' ' TYR . 4.8 mt -72.24 98.76 2.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.9 p -122.05 -42.74 2.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.41 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.491 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 2.2 mm-40 -54.32 116.93 2.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -78.61 -24.7 45.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.4 mmt85 -79.17 -28.54 42.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.465 ' HG2' ' CE2' ' A' ' 82' ' ' TYR . 22.6 tttt -81.78 120.82 25.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.409 ' CG ' HG23 ' A' ' 29' ' ' THR . 4.0 mttt -69.32 155.94 39.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 83.0 mt -63.0 -33.24 74.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.44 -32.81 73.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.44 1.087 . . . . 0.0 110.309 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -65.96 -24.41 66.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.53 ' CD1' HD21 ' A' ' 72' ' ' LEU . 9.2 m-85 -88.68 -7.02 57.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.21 23.72 21.38 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 12.4 mt -100.52 116.9 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.764 . . . . 0.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 51.7 mmt-85 -113.84 -175.37 2.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.404 ' OD1' ' C ' ' A' ' 86' ' ' ASN . 4.6 t-20 -60.46 138.37 58.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 109.305 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.6 mtt85 63.95 62.03 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -110.77 174.87 5.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -123.04 108.93 13.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.318 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 11' ' ' ARG . 5.7 t -114.07 157.84 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.461 ' O ' ' CG2' ' A' ' 66' ' ' THR . 0.6 OUTLIER -146.61 164.92 31.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.004 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -96.91 119.94 36.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 20.3 tt -106.48 159.16 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.475 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 7.4 tttt -101.47 128.45 47.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.406 ' HD2' ' NE2' ' A' ' 64' ' ' HIS . 43.8 mtpt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.417 ' CA ' ' O ' ' A' ' 24' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.08 175.53 10.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 111.027 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -120.26 95.55 4.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.404 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 64.9 t -86.91 119.35 34.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.3 mtt-85 -92.13 108.77 20.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.553 HG12 ' CD1' ' A' ' 92' ' ' PHE . 41.1 t -74.16 136.6 24.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.471 ' CB ' ' HA ' ' A' ' 91' ' ' SER . 0.1 OUTLIER -106.4 79.75 1.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 108.305 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.7 mtmt . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.974 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 20' ' ' MET . 78.9 t . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.412 ' N ' HG13 ' A' ' 19' ' ' VAL . 4.3 mtp -122.86 122.33 27.12 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 108.4 2.71 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.472 1.775 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.469 ' CG1' ' HB1' ' A' ' 36' ' ' ALA . 60.1 t -103.77 146.19 11.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.1 t -114.1 139.88 37.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.417 ' O ' ' CA ' ' A' ' 7' ' ' GLY . 3.1 m -149.41 176.66 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.431 HG23 ' N ' ' A' ' 28' ' ' ALA . 31.5 m -79.3 144.68 10.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -43.27 -26.57 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.302 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.426 ' N ' ' C ' ' A' ' 25' ' ' VAL . 6.5 p30 -128.12 65.29 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.431 ' N ' HG23 ' A' ' 25' ' ' VAL . . . -92.34 177.26 6.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 72.7 p -131.15 -175.86 3.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.402 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 74' ' ' GLU . 98.7 t -58.18 -40.96 79.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 tp -56.73 -64.92 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -41.8 -52.88 3.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.558 ' CD1' ' CD1' ' A' ' 37' ' ' ILE . 0.6 OUTLIER -38.16 -71.66 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.558 ' HG2' ' CE3' ' A' ' 60' ' ' TRP . 0.3 OUTLIER -50.46 -53.97 25.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -43.56 -50.01 7.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.469 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -60.49 -68.44 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.558 ' CD1' ' CD1' ' A' ' 33' ' ' LEU . 95.9 mt -39.05 -32.62 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.415 ' N ' ' C ' ' A' ' 36' ' ' ALA . 4.3 mt-30 -77.05 -50.04 13.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 110.288 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 36' ' ' ALA . 1.3 tpm_? -67.58 -6.71 21.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.427 ' O ' ' CB ' ' A' ' 44' ' ' LYS . 6.9 t80 -86.73 -38.96 16.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.1 t -94.85 -41.34 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -70.89 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mt -51.93 -59.27 4.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 40' ' ' TYR . 53.6 tttt -41.48 -65.29 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -47.54 -47.82 27.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.306 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.262 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 54.6 m95 -60.53 -34.5 74.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 108.019 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.26 -58.52 5.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.968 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.469 ' CD1' ' C ' ' A' ' 58' ' ' TYR . 1.6 t80 -60.39 -35.59 76.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 79.1 t -62.06 -64.65 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.558 ' CE3' ' HG2' ' A' ' 34' ' ' LYS . 48.9 m95 -58.1 -24.31 58.16 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.568 1.167 . . . . 0.0 108.021 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -91.21 32.44 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.505 HG22 ' CE2' ' A' ' 63' ' ' TYR . 53.5 m -151.87 -45.52 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.408 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.505 ' CE2' HG22 ' A' ' 62' ' ' THR . 94.3 m-85 -116.43 167.9 10.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -147.1 166.16 27.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.581 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.419 ' HG ' ' CD1' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -88.63 118.16 28.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -116.14 165.06 13.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.429 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.5 t -143.59 -71.11 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.973 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.24 56.59 1.84 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.26 -34.02 3.92 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.547 1.154 . . . . 0.0 110.977 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.481 ' HB3' ' CD1' ' A' ' 82' ' ' TYR . 1.2 mt-10 -67.18 99.52 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -69.81 110.5 4.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.453 HD21 ' CD1' ' A' ' 84' ' ' ILE . 11.3 mt -66.88 87.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 79.1 p -118.11 -38.45 3.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.428 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.48 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.7 OUTLIER -62.81 114.43 3.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.341 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -77.34 -32.16 54.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -73.81 -26.67 60.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.469 ' HG2' ' CE2' ' A' ' 82' ' ' TYR . 11.9 tttt -80.06 137.85 36.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.49 152.75 23.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 25.1 mt -66.18 -33.23 75.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -63.38 -38.45 91.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.37 -20.85 66.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.481 ' CD1' ' HB3' ' A' ' 70' ' ' GLU . 5.9 m-85 -91.07 11.1 24.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 77.07 19.88 76.6 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.453 ' CD1' HD21 ' A' ' 72' ' ' LEU . 21.0 mt -99.84 104.25 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 0.76 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -100.91 -174.41 2.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -66.16 154.93 38.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.51 40.88 31.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.364 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -102.3 158.56 16.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -113.55 112.14 23.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' A' ' 13' ' ' CYS . 25.4 t -97.76 147.72 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.471 ' HA ' ' CB ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -110.49 168.52 9.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.994 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.553 ' CD1' HG12 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -113.81 132.85 55.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 12.5 tt -124.14 152.85 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.496 ' HB2' ' CE1' ' A' ' 63' ' ' TYR . 4.2 ttmt -105.05 133.86 49.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.332 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.0 175.81 9.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -121.01 104.41 9.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.432 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.413 ' CG1' HD22 ' A' ' 33' ' ' LEU . 87.1 t -99.96 109.94 25.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.457 ' HB3' ' CG2' ' A' ' 19' ' ' VAL . 4.3 mtt180 -78.91 137.9 37.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.342 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.448 ' CG2' HD13 ' A' ' 37' ' ' ILE . 53.2 t -120.16 88.94 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 14' ' ' LYS . 8.8 t -70.89 83.33 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 108.291 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 13' ' ' CYS . 56.7 mtmt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.457 ' CG2' ' HB3' ' A' ' 11' ' ' ARG . 1.5 p . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.5 mtp -130.96 122.74 19.53 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 110.944 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 106.6 2.31 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.526 1.803 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.461 ' CG1' ' HB3' ' A' ' 36' ' ' ALA . 56.9 t -102.43 148.43 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.1 p -114.13 145.55 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.468 ' HB ' ' CB ' ' A' ' 28' ' ' ALA . 15.7 m -154.51 167.05 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.411 HG22 ' N ' ' A' ' 28' ' ' ALA . 17.0 m -61.28 154.73 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -53.67 -19.64 4.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.5 p30 -135.3 66.05 1.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.468 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -95.43 166.97 11.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.8 p -113.93 -174.0 2.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.422 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 74' ' ' GLU . 88.7 t -60.48 -64.65 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.42 ' HB2' ' HB3' ' A' ' 75' ' ' ASP . 19.3 tp -40.86 -58.25 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 31' ' ' LEU . 0.8 OUTLIER -39.51 -59.9 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.337 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.497 ' CD1' ' CD1' ' A' ' 37' ' ' ILE . 0.3 OUTLIER -45.29 -48.76 12.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.558 ' HG2' ' CZ3' ' A' ' 60' ' ' TRP . 25.9 mtmt -59.68 -44.95 93.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -57.5 -50.79 71.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.461 ' HB3' ' CG1' ' A' ' 22' ' ' VAL . . . -56.37 -62.34 1.79 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.497 ' CD1' ' CD1' ' A' ' 33' ' ' LEU . 61.9 mt -39.82 -33.2 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -76.97 -54.03 7.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.507 ' O ' ' CD2' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -63.51 -11.4 23.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.323 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -82.23 -40.29 21.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 111.028 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 72.8 t -94.34 -44.79 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.238 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.04 -62.39 1.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.507 ' CD2' ' O ' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -53.84 -42.16 68.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.41 ' N ' ' HG ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -50.89 -68.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.35 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -53.05 -49.79 65.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 0.0 110.327 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.495 ' HB3' ' CD1' ' A' ' 60' ' ' TRP . 65.4 m95 -74.78 -40.72 61.0 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.021 -1.104 . . . . 0.0 108.021 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.25 -58.75 1.72 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.951 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -56.34 -57.13 13.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 71.2 t -45.78 -57.18 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.558 ' CZ3' ' HG2' ' A' ' 34' ' ' LYS . 47.7 m95 -59.46 -34.46 72.57 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.21 38.5 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.6 m -155.07 -50.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 110.414 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -114.66 148.71 37.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -120.89 168.66 11.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.558 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.552 HD22 ' CE1' ' A' ' 92' ' ' PHE . 13.7 mt -93.1 128.73 39.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.1 t -106.43 170.04 8.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.354 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.8 t 170.39 143.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 110.03 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 46.8 32.94 1.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 58.18 34.79 74.81 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -135.75 118.88 16.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.752 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt -58.02 128.43 37.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.567 ' CD2' ' CD1' ' A' ' 82' ' ' TYR . 13.0 mt -97.99 81.3 2.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.3 p -95.99 -47.71 6.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.436 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.491 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.6 OUTLIER -52.4 135.25 33.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.346 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.42 ' HB3' ' HB2' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -98.8 -42.97 6.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.35 -19.84 65.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.255 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.453 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 1.0 OUTLIER -76.91 127.22 32.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.13 147.84 40.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 32.8 mt -58.54 -34.57 71.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 22.4 ttt-85 -62.64 -37.42 86.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.309 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.16 -12.71 61.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.567 ' CD1' ' CD2' ' A' ' 72' ' ' LEU . 1.2 m-85 -97.05 9.36 42.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 81.55 11.78 82.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 34.3 mt -88.42 152.97 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 109.329 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.449 ' NH1' ' CG ' ' A' ' 88' ' ' ASP . 0.0 OUTLIER -148.05 -175.47 4.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -63.71 132.0 49.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 68.46 73.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 0.0 110.313 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . 0.449 ' CG ' ' NH1' ' A' ' 85' ' ' ARG . 43.5 t0 -123.86 174.49 7.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -121.88 112.44 18.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.424 ' CG1' ' N ' ' A' ' 91' ' ' SER . 4.1 t -115.64 158.86 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.424 ' N ' ' CG1' ' A' ' 90' ' ' VAL . 0.3 OUTLIER -148.58 166.94 26.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.552 ' CE1' HD22 ' A' ' 65' ' ' LEU . 2.7 m-85 -97.06 140.64 31.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 9.1 tt -127.89 155.63 39.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -99.9 144.0 29.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.994 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.46 ' CG ' HG22 ' A' ' 24' ' ' VAL . 2.1 ptm -158.74 154.34 26.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 0.773 . . . . 0.0 110.97 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.4 m -100.77 107.36 18.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.411 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.423 ' CG1' HD23 ' A' ' 33' ' ' LEU . 82.2 t -105.96 127.08 61.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.465 ' HG2' ' CG1' ' A' ' 19' ' ' VAL . 11.3 mtt-85 -90.34 149.29 22.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.422 ' CG2' HD11 ' A' ' 37' ' ' ILE . 90.2 t -130.71 126.56 60.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 15.9 t -90.5 85.77 6.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 108.268 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.356 179.951 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.465 ' CG1' ' HG2' ' A' ' 11' ' ' ARG . 98.0 t . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 7.3 mtp -117.61 122.38 30.88 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 108.33 2.69 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.495 1.787 . . . . 0.0 111.023 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.45 ' CG2' HG12 ' A' ' 37' ' ' ILE . 90.0 t -102.86 151.82 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.5 t -115.51 136.88 50.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.467 ' HB ' ' CB ' ' A' ' 28' ' ' ALA . 19.7 m -149.32 163.1 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.454 HG22 ' CA ' ' A' ' 28' ' ' ALA . 23.7 m -62.72 149.79 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -49.44 -22.56 1.21 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.142 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -132.31 60.54 1.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.467 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -84.67 178.35 7.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.9 p -129.23 -175.92 3.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.435 ' CG2' ' O ' ' A' ' 74' ' ' GLU . 69.1 t -57.44 -56.82 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.36 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.4 tp -50.66 -55.52 16.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -42.61 -58.97 2.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.5 ' CD1' ' CD1' ' A' ' 37' ' ' ILE . 0.3 OUTLIER -40.24 -50.23 2.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.55 ' HG2' ' CZ3' ' A' ' 60' ' ' TRP . 1.5 mttp -59.82 -56.83 16.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -44.98 -48.5 11.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 39' ' ' ARG . . . -59.02 -67.13 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.248 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.5 ' CD1' ' CD1' ' A' ' 33' ' ' LEU . 78.5 mt -40.52 -30.16 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.422 ' N ' ' C ' ' A' ' 36' ' ' ALA . 3.0 mt-30 -74.64 -49.97 19.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.28 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.489 ' O ' ' CD2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -64.84 -10.55 29.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 0.0 110.312 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.415 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 5.4 t80 -85.98 -39.64 16.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.444 ' O ' ' NE2' ' A' ' 45' ' ' GLN . 55.8 t -91.11 -37.67 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.5 tm0? -63.63 -69.47 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.502 ' CD1' ' C ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -41.7 -38.89 1.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.21 -72.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.449 ' N ' ' CD ' ' A' ' 45' ' ' GLN . 1.3 mp0 -47.19 -37.96 11.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.266 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -54.63 -45.08 73.69 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.2 m -40.29 -61.16 0.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.951 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -60.96 -50.9 71.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 45.7 t -43.61 -62.03 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.55 ' CZ3' ' HG2' ' A' ' 34' ' ' LYS . 52.8 m95 -62.88 -36.38 83.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.045 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.74 45.98 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.549 HG21 ' CD2' ' A' ' 63' ' ' TYR . 3.5 m -162.64 -51.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.41 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.551 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 98.2 m-85 -114.88 145.18 42.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -114.41 179.21 4.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.576 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.461 HD21 ' CD1' ' A' ' 92' ' ' PHE . 67.5 mt -103.64 131.71 50.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.59 163.47 14.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 110.36 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 70' ' ' GLU . 6.6 t 177.19 145.39 0.1 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.132 . . . . 0.0 109.981 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 48.76 28.36 1.85 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 65.59 31.37 79.86 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 67' ' ' SER . 0.9 OUTLIER -128.44 141.26 51.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 0.754 . . . . 0.0 110.311 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -80.38 116.41 20.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.429 HD23 ' CE1' ' A' ' 82' ' ' TYR . 12.4 mt -81.85 86.36 6.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.7 p -107.54 -62.93 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.386 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.435 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -43.58 128.77 5.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.46 -42.15 8.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -61.5 -18.25 58.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 42.5 tttt -86.04 133.78 33.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.9 mttp -82.22 150.82 27.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 31.0 mt -57.84 -36.45 72.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.92 -48.71 80.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -63.38 -14.76 53.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.429 ' CE1' HD23 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -90.4 -8.67 50.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 110.986 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 97.17 -1.02 60.52 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.528 1.143 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.427 HG22 ' N ' ' A' ' 85' ' ' ARG . 71.7 mt -81.89 160.99 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 0.739 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.427 ' N ' HG22 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -153.92 -174.93 5.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.287 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -72.86 137.5 45.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 76.51 38.76 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.99 -176.49 3.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -132.13 123.24 26.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.312 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' A' ' 91' ' ' SER . 2.6 t -117.79 160.24 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.436 ' N ' ' CG1' ' A' ' 90' ' ' VAL . 0.9 OUTLIER -138.59 166.17 25.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 109.998 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.461 ' CD1' HD21 ' A' ' 65' ' ' LEU . 1.8 m-85 -106.06 123.22 47.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.1 tt -105.73 168.45 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 0.0 109.322 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.551 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 11.4 tttt -115.38 140.02 49.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.955 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.07 159.72 43.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 0.772 . . . . 0.0 110.973 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -111.58 98.1 7.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.377 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 77.5 t -88.73 115.77 29.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 75.7 mtt180 -84.47 128.51 34.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.465 HG23 ' CD1' ' A' ' 37' ' ' ILE . 2.9 t -97.77 125.18 51.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.239 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 14' ' ' LYS . 4.2 t -84.19 81.85 8.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 108.353 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 37.6 t . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 10.3 mtp -113.87 121.96 35.84 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 106.63 2.31 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.472 1.775 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.413 ' CG1' ' CB ' ' A' ' 36' ' ' ALA . 90.2 t -99.78 149.99 5.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.6 p -119.36 146.78 23.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.411 ' HB ' ' CB ' ' A' ' 28' ' ' ALA . 10.1 m -155.37 168.35 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.23 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.413 HG21 ' N ' ' A' ' 28' ' ' ALA . 16.1 m -68.49 144.4 14.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.377 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -43.84 -26.36 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -128.33 64.66 1.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.413 ' N ' HG21 ' A' ' 25' ' ' VAL . . . -91.38 177.19 6.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 43.5 p -130.88 -177.6 4.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.392 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.415 ' N ' HD23 ' A' ' 79' ' ' LEU . 46.9 t -57.69 -44.05 84.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 tp -56.95 -57.43 12.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 33' ' ' LEU . 5.8 t70 -46.17 -57.7 4.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.412 ' CD1' ' CD1' ' A' ' 37' ' ' ILE . 0.4 OUTLIER -39.72 -66.33 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.558 ' HG2' ' CE3' ' A' ' 60' ' ' TRP . 0.4 OUTLIER -43.14 -59.2 2.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.36 -48.91 46.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 39' ' ' ARG . . . -50.16 -70.35 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.465 ' CD1' HG23 ' A' ' 12' ' ' VAL . 72.6 mt -41.69 -31.39 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.52 ' OE1' ' CG ' ' A' ' 56' ' ' TRP . 2.4 mt-30 -76.53 -46.86 24.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.48 ' O ' ' CD2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -66.8 -8.58 29.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.419 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 5.7 t80 -87.46 -37.18 17.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.955 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 50.4 t -93.65 -36.29 7.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -65.14 -69.58 0.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.49 ' CD1' ' C ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -43.39 -42.5 4.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.5 ttpp -53.4 -62.91 1.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -51.88 -53.2 43.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.52 ' CG ' ' OE1' ' A' ' 38' ' ' GLN . 71.0 m95 -59.55 -42.98 93.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 108.043 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.3 t -42.78 -59.29 2.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.062 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -62.89 -45.14 93.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.6 t -48.14 -61.52 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.558 ' CE3' ' HG2' ' A' ' 34' ' ' LYS . 43.5 m95 -59.1 -25.01 63.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 108.001 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.38 30.45 1.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.265 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.7 m -146.63 -45.73 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.417 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.559 ' CE2' ' HB2' ' A' ' 94' ' ' LYS . 39.8 m-85 -110.18 156.26 20.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -120.38 172.89 7.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.605 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 37.6 mt -115.0 117.68 31.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.84 160.58 21.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.415 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.0 t -138.2 -82.85 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.961 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -98.44 31.29 2.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 97.16 -19.46 54.68 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -78.12 100.61 6.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 0.751 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.473 ' HE3' ' CD1' ' A' ' 93' ' ' ILE . 7.6 mmtm -61.33 113.06 2.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.48 ' CD2' ' CD1' ' A' ' 82' ' ' TYR . 13.8 mt -74.71 91.15 2.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 70.7 p -120.59 1.35 10.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.419 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.423 ' CB ' ' HB3' ' A' ' 77' ' ' LYS . 0.4 OUTLIER -100.22 103.33 14.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.253 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -68.31 -30.49 69.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -76.51 -34.27 58.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.507 ' HD3' ' CE2' ' A' ' 82' ' ' TYR . 3.3 tttt -70.89 132.05 44.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -79.15 154.45 29.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.415 HD23 ' N ' ' A' ' 30' ' ' VAL . 48.8 mt -60.1 -36.67 77.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.2 ttt180 -59.92 -38.26 81.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.253 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.94 -28.31 66.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.507 ' CE2' ' HD3' ' A' ' 77' ' ' LYS . 18.0 m-85 -89.03 -2.69 58.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 83.88 16.91 66.64 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.463 1.102 . . . . 0.0 111.03 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 82.3 mt -83.51 110.78 18.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 79.4 mmt-85 -104.94 -174.7 2.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -70.36 154.97 41.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.28 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.98 31.26 20.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.32 162.66 13.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -121.74 115.12 22.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.284 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.2 t -99.93 149.95 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.3 163.59 14.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.998 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -112.12 164.84 12.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.473 ' CD1' ' HE3' ' A' ' 71' ' ' LYS . 10.2 tt -157.04 150.66 9.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.559 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 2.0 tmtt? -108.82 139.17 44.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.63 175.48 9.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 0.784 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 m -117.03 99.39 7.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.385 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.1 t -92.59 136.96 23.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.8 mtt85 -103.79 159.86 15.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.469 HG22 ' CD1' ' A' ' 37' ' ' ILE . 59.5 t -125.83 119.37 54.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 15.0 t -104.35 91.51 3.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 108.335 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.8 mtmt . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.1 t . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.515 ' SD ' ' CE1' ' A' ' 40' ' ' TYR . 11.8 mtm -117.86 122.68 30.35 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 106.88 2.36 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.556 1.819 . . . . 0.0 110.977 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.508 ' CG1' ' CB ' ' A' ' 36' ' ' ALA . 50.3 t -104.12 148.2 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.491 ' O ' ' CG1' ' A' ' 24' ' ' VAL . 55.4 t -117.58 146.53 21.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.491 ' CG1' ' O ' ' A' ' 23' ' ' VAL . 19.8 m -158.21 163.43 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.416 HG21 ' N ' ' A' ' 28' ' ' ALA . 33.8 m -63.96 143.95 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -47.03 -24.24 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -122.1 53.82 1.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.416 ' N ' HG21 ' A' ' 25' ' ' VAL . . . -82.54 175.55 10.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.1 p -129.7 179.15 5.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.439 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 74' ' ' GLU . 60.0 t -57.82 -40.47 76.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.468 ' HG ' ' CD ' ' A' ' 35' ' ' LYS . 6.5 tp -60.03 -55.59 32.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 33' ' ' LEU . 74.5 m-20 -48.33 -58.51 4.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.529 ' CD1' ' CD1' ' A' ' 37' ' ' ILE . 0.5 OUTLIER -39.7 -53.55 2.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -56.8 -65.75 0.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.244 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.468 ' CD ' ' HG ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -42.29 -42.54 3.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.508 ' CB ' ' CG1' ' A' ' 22' ' ' VAL . . . -59.47 -70.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.529 ' CD1' ' CD1' ' A' ' 33' ' ' LEU . 78.3 mt -45.09 -26.74 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -77.47 -52.33 9.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.445 1.09 . . . . 0.0 110.274 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -10.46 18.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.515 ' CE1' ' SD ' ' A' ' 20' ' ' MET . 5.8 t80 -79.9 -42.32 24.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.0 t -94.53 -48.31 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -45.85 -70.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mt -53.84 -54.07 43.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.405 ' CB ' ' O ' ' A' ' 40' ' ' TYR . 3.7 ttmt -43.8 -62.2 1.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -53.42 -40.72 65.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' TRP . . . . . 0.452 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 47.7 m95 -44.9 -46.38 10.88 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.6 m -49.4 -54.67 16.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.931 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -66.79 -40.19 88.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.0 t -51.76 -52.21 23.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.452 ' CD1' ' O ' ' A' ' 56' ' ' TRP . 72.3 m95 -65.73 -41.18 92.53 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -61.79 -18.02 58.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.1 m -102.64 -60.7 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.175 . . . . 0.0 110.431 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.555 ' CE1' ' HB2' ' A' ' 94' ' ' LYS . 96.4 m-85 -98.46 154.51 17.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -126.28 168.93 13.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.591 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.567 HD22 ' CE1' ' A' ' 92' ' ' PHE . 87.0 mt -97.12 115.29 27.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.69 160.59 15.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.421 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 35.2 p -134.48 -53.59 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.977 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -164.54 67.18 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.43 -7.72 60.48 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.461 1.101 . . . . 0.0 110.958 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -103.49 106.02 16.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 0.783 . . . . 0.0 110.301 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -71.55 115.56 10.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.337 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.682 ' CD2' ' CD1' ' A' ' 82' ' ' TYR . 7.8 mt -79.58 79.51 6.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 61.3 p -109.86 -43.81 3.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.409 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.495 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -55.56 119.21 5.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.2 -34.79 21.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -70.31 -28.27 65.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.318 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -77.11 124.65 28.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.113 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -68.78 163.79 23.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 33.1 mt -68.44 -39.77 81.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.66 -28.32 60.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.343 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.22 -22.73 60.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.682 ' CD1' ' CD2' ' A' ' 72' ' ' LEU . 2.7 m-85 -95.6 18.9 11.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 61.08 27.87 67.98 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 34.1 mm -78.83 150.0 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 0.758 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -142.05 -178.43 5.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -79.83 145.03 32.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 63.84 32.76 13.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -85.01 178.32 7.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -136.44 108.85 7.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.332 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 39.9 t -97.75 142.7 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.91 161.79 16.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.969 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.567 ' CE1' HD22 ' A' ' 65' ' ' LEU . 0.3 OUTLIER -106.77 123.48 48.21 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.133 . . . . 0.0 110.999 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.7 tt -108.94 166.91 4.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.555 ' HB2' ' CE1' ' A' ' 63' ' ' TYR . 2.8 ttmt -115.9 139.99 49.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.7 m -148.11 121.1 8.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 110.019 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.2 p -102.78 109.53 21.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.037 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.88 -108.78 2.21 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.535 1.147 . . . . 0.0 110.956 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.4 m -119.41 108.59 14.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 0.767 . . . . 0.0 110.017 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.5 p -122.01 149.78 43.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.98 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.06 -159.28 22.25 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.2 ptm -154.67 157.31 37.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 0.763 . . . . 0.0 110.972 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 m -105.93 100.43 9.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.366 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.0 t -94.39 118.21 39.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -82.49 137.2 34.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 70.5 t -120.5 86.51 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.4 t -68.55 81.03 0.27 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 108.308 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -40.23 153.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.2 ptt? -47.04 -46.62 22.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.83 -56.09 20.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 158.35 -52.22 0.4 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -46.52 116.55 1.33 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 0.771 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 p -91.02 145.89 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.1 mtp -121.34 124.01 27.45 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.967 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 108.83 2.81 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.507 1.793 . . . . 0.0 111.051 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.458 ' CG1' ' CB ' ' A' ' 36' ' ' ALA . 71.8 t -102.49 151.03 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.463 ' O ' ' CG1' ' A' ' 24' ' ' VAL . 14.7 p -114.88 144.98 21.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.463 ' CG1' ' O ' ' A' ' 23' ' ' VAL . 15.7 m -157.71 170.66 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.418 HG21 ' N ' ' A' ' 28' ' ' ALA . 32.3 m -70.69 155.93 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -20.4 21.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 110.273 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -127.44 58.27 1.47 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.418 ' N ' HG21 ' A' ' 25' ' ' VAL . . . -89.04 176.72 6.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 72.2 p -130.85 -177.82 4.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 110.41 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.422 ' N ' HD21 ' A' ' 79' ' ' LEU . 83.7 t -61.13 -40.41 85.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.446 ' CG ' ' HB3' ' A' ' 75' ' ' ASP . 1.4 mt -58.51 -64.47 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -40.64 -56.4 2.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.258 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.463 ' CD1' HD13 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -39.87 -51.89 2.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.569 ' HG2' ' CE3' ' A' ' 60' ' ' TRP . 0.7 OUTLIER -58.15 -53.77 54.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.85 -47.48 67.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.458 ' CB ' ' CG1' ' A' ' 22' ' ' VAL . . . -56.94 -61.67 2.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.463 HD13 ' CD1' ' A' ' 33' ' ' LEU . 71.5 mt -41.68 -35.89 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.463 ' NE2' ' HE1' ' A' ' 60' ' ' TRP . 6.0 mt-30 -78.7 -42.34 28.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -70.29 -6.37 34.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.338 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.44 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 4.0 t80 -87.49 -37.48 16.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.1 t -93.66 -34.64 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -67.36 -66.36 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.25 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.428 ' CD2' ' O ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -49.82 -43.17 48.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.097 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -55.08 -58.55 7.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -52.71 -50.16 63.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.01 -50.15 48.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.274 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -70.7 -18.37 62.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -105.83 16.24 25.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.312 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 53.84 70.13 1.03 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -146.3 146.0 15.56 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.1 t -101.79 136.5 33.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 0.752 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -52.96 143.35 17.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 110.305 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -152.8 31.01 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.571 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 36.0 mt -124.76 121.48 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.17 78.96 1.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.025 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.499 ' HB3' ' CD1' ' A' ' 60' ' ' TRP . 90.2 m95 -61.96 -27.71 69.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 108.034 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.8 m -52.67 -60.43 3.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.022 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -66.08 -47.31 74.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.7 t -46.98 -59.05 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.569 ' CE3' ' HG2' ' A' ' 34' ' ' LYS . 50.7 m95 -62.32 -37.49 85.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 107.985 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.65 39.99 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.532 HG21 ' CE2' ' A' ' 63' ' ' TYR . 33.0 m -155.35 -45.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.535 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 98.7 m-85 -118.86 159.86 22.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -124.31 -178.99 4.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.632 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.428 HD22 ' CZ ' ' A' ' 92' ' ' PHE . 58.0 mt -108.01 123.08 48.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.455 ' CG2' ' HB ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -119.99 160.9 21.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.407 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.9 t -133.17 -62.52 0.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.98 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -161.26 69.86 0.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.11 -29.91 5.78 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -79.19 107.64 12.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -78.76 113.81 17.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.436 HD21 ' CD1' ' A' ' 82' ' ' TYR . 10.2 mt -80.45 83.96 6.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.36 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 72.6 p -109.57 -54.75 2.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.422 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.51 127.5 29.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.446 ' HB3' ' CG ' ' A' ' 31' ' ' LEU . 8.5 m-20 -94.91 -28.02 15.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.81 -2.59 37.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.332 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -105.87 121.66 44.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -63.56 148.12 49.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.422 HD21 ' N ' ' A' ' 30' ' ' VAL . 34.7 mt -62.58 -39.64 94.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.159 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.52 -21.75 11.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.81 -28.8 27.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.436 ' CD1' HD21 ' A' ' 72' ' ' LEU . 8.4 m-85 -77.6 -12.95 60.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 101.35 9.64 43.84 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.8 mt -92.79 125.33 45.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -122.89 -175.15 3.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.412 ' OD1' ' C ' ' A' ' 86' ' ' ASN . 4.6 t-20 -63.06 140.95 58.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 20.4 mtt180 63.74 57.56 1.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -115.37 169.44 9.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -117.55 109.67 16.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.302 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.5 t -118.05 148.45 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.22 168.15 19.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 110.008 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.428 ' CZ ' HD22 ' A' ' 65' ' ' LEU . 4.8 m-85 -91.17 163.1 14.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.455 ' HB ' ' CG2' ' A' ' 66' ' ' THR . 15.6 tt -142.51 158.61 19.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.535 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 1.0 OUTLIER -110.1 129.59 55.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -46.22 166.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.6 103.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -130.47 -151.27 7.09 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.547 1.154 . . . . 0.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.1 mp0 -142.01 -60.05 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 0.729 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.46 176.77 6.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.3 t -149.97 149.82 30.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.971 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -76.99 113.94 3.91 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 173.68 14.1 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.529 1.805 . . . . 0.0 111.005 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 20.9 m -135.39 -58.55 0.78 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.02 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 83.9 p -116.79 146.74 42.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.016 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.498 1.124 . . . . 0.0 110.966 180.0 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 t -121.45 111.41 17.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 0.741 . . . . 0.0 109.99 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -134.46 166.06 23.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.992 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.1 175.55 17.97 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -162.48 92.55 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.768 . . . . 0.0 109.965 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.99 94.3 0.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.99 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.86 -165.96 34.31 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.432 ' CG ' HG21 ' A' ' 24' ' ' VAL . 1.2 ptm -151.75 155.34 38.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.761 . . . . 0.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.8 m -102.54 102.19 12.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 110.421 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.2 t -98.19 120.94 48.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.9 mtt-85 -89.03 145.55 25.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.426 HG11 ' CE2' ' A' ' 92' ' ' PHE . 47.3 t -114.66 138.52 44.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.9 t -104.31 85.42 2.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 108.3 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.4 mtmt -56.3 159.67 3.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.3 ptp -57.43 -40.68 78.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 111.054 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -63.77 -54.2 39.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 152.12 -45.25 0.61 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -40.72 141.42 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 0.74 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.7 t -108.25 157.47 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.8 mtp -139.28 122.52 10.7 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.987 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 108.69 2.77 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.506 1.793 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.458 ' CG2' HG12 ' A' ' 37' ' ' ILE . 96.0 t -102.68 150.53 6.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.446 ' O ' ' CG1' ' A' ' 24' ' ' VAL . 12.3 p -115.39 148.87 17.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.468 ' HB ' ' CB ' ' A' ' 28' ' ' ALA . 4.7 m -159.04 170.68 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.417 HG22 ' N ' ' A' ' 28' ' ' ALA . 24.0 m -76.17 143.54 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -40.91 -40.94 1.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.334 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -109.39 49.88 0.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.468 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -74.29 176.27 6.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 30.8 p -131.04 -175.61 3.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.394 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 74' ' ' GLU . 91.6 t -61.56 -49.58 83.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.349 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.76 -55.49 22.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.27 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 33' ' ' LEU . 5.5 t70 -43.83 -53.66 5.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.521 ' CD1' ' CD1' ' A' ' 37' ' ' ILE . 0.4 OUTLIER -39.03 -71.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.538 ' HG2' ' CE3' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -45.81 -58.09 3.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -44.1 -50.38 8.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 39' ' ' ARG . . . -56.64 -67.25 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.521 ' CD1' ' CD1' ' A' ' 33' ' ' LEU . 96.1 mt -39.87 -32.03 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.421 ' OE1' ' NE1' ' A' ' 60' ' ' TRP . 3.9 mt-30 -76.21 -49.37 17.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.463 ' O ' ' CD2' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -66.16 -9.04 27.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.333 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -85.54 -36.53 20.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.4 t -93.75 -35.17 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -67.33 -67.3 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.463 ' CD2' ' O ' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -48.55 -44.95 36.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.0 tttt -54.24 -66.88 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 49' ' ' GLY . 45.2 mt-30 -48.31 -53.57 16.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.78 -50.85 17.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -72.35 -21.52 61.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -103.08 20.95 16.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 110.283 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 45' ' ' GLN . . . 127.22 -65.95 0.57 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.13 152.91 26.91 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -165.89 -178.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 0.775 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -62.6 157.59 20.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 110.304 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.06 170.58 0.64 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.573 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.446 ' O ' ' CG2' ' A' ' 54' ' ' ILE . 35.7 mt -119.31 46.36 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 70.0 m 43.11 57.9 3.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.038 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -66.76 -47.53 71.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 108.014 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 61' ' ' ARG . 3.0 m -39.46 -60.89 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.007 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -54.54 -49.22 70.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 111.04 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.4 t -50.59 -51.99 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.538 ' CE3' ' HG2' ' A' ' 34' ' ' LYS . 45.4 m95 -69.74 -27.39 64.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 108.037 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 57' ' ' SER . 0.1 OUTLIER -90.69 36.18 0.9 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.578 1.174 . . . . 0.0 110.295 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.9 m -157.94 -44.81 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.501 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 97.9 m-85 -118.81 161.23 20.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -141.69 167.03 23.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.612 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.521 ' CD1' ' CE1' ' A' ' 92' ' ' PHE . 0.1 OUTLIER -89.05 122.66 32.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.421 ' OG1' ' N ' ' A' ' 67' ' ' SER . 2.7 t -105.76 175.39 5.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.355 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.421 ' N ' ' OG1' ' A' ' 66' ' ' THR . 4.8 t 166.04 150.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 109.977 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 43.5 45.42 5.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 46.99 41.91 14.8 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -136.42 136.25 39.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 0.746 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -85.77 119.05 25.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.434 ' CG ' ' O ' ' A' ' 65' ' ' LEU . 6.0 mt -89.78 88.33 7.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 70.4 p -111.12 -36.02 5.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.409 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.494 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -65.04 122.87 18.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.92 -35.03 26.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -69.4 -34.17 74.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.343 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.446 ' HG2' ' CE2' ' A' ' 82' ' ' TYR . 17.4 tttt -69.48 129.07 38.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -76.17 155.57 34.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.422 HD22 ' N ' ' A' ' 30' ' ' VAL . 21.3 mt -67.66 -45.24 75.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -57.29 -17.43 11.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.27 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.48 -10.41 54.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.446 ' CE2' ' HG2' ' A' ' 77' ' ' LYS . 1.9 m-85 -102.87 -1.93 28.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.937 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.93 17.79 50.0 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.531 1.144 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 21.7 mt -98.05 107.36 20.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 0.739 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -99.96 -174.75 2.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.355 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -74.22 148.97 41.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.3 mtm-85 65.74 31.22 9.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.314 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -100.1 158.86 15.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -106.01 122.71 46.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.27 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.6 t -111.66 157.49 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.17 166.9 18.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.012 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.521 ' CE1' ' CD1' ' A' ' 65' ' ' LEU . 0.7 OUTLIER -106.3 127.03 52.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.3 tt -111.9 167.61 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.501 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 10.2 tttt -118.83 133.47 55.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt -48.96 169.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.8 tt -62.93 115.24 4.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -144.91 -152.96 5.73 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.467 1.105 . . . . 0.0 110.943 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.442 ' O ' ' CB ' ' A' ' 99' ' ' LYS . 3.6 tt0 -120.82 132.96 55.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 0.751 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.442 ' CB ' ' O ' ' A' ' 98' ' ' GLN . 8.3 tttm 83.91 80.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.27 152.65 24.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 110.009 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.62 148.09 49.21 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 93.11 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.517 1.798 . . . . 0.0 111.035 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.62 -62.19 1.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.075 . . . . 0.0 110.056 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.8 t 63.95 112.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.027 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.511 1.132 . . . . 0.0 111.039 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.3 p -159.41 147.18 17.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 0.741 . . . . 0.0 109.988 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 59.48 170.1 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.95 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.15 131.06 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.494 1.122 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.0 p -107.98 79.06 1.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 109.999 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.87 94.45 5.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.986 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.16 -174.3 46.3 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.464 1.102 . . . . 0.0 111.027 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.54 169.98 19.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 110.956 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -118.87 95.91 5.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.415 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.459 ' CG1' HD22 ' A' ' 33' ' ' LEU . 88.1 t -88.23 112.53 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.0 mtt-85 -81.48 133.46 35.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 110.3 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.449 ' CG2' HD11 ' A' ' 37' ' ' ILE . 5.0 t -116.59 91.83 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 14' ' ' LYS . 28.6 t -74.23 84.76 1.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 108.286 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 13' ' ' CYS . 52.3 mtmt -39.16 153.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.8 ptp -48.96 -50.95 33.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 54.2 p-10 -141.76 51.18 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -143.62 -172.21 14.32 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -88.38 118.02 27.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 0.746 . . . . 0.0 110.263 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.4 p -41.32 137.02 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.6 mtm -116.91 122.93 30.79 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.406 ' O ' ' CE2' ' A' ' 40' ' ' TYR . 18.2 Cg_endo -74.95 108.48 2.73 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.562 1.822 . . . . 0.0 111.043 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.494 ' CG1' ' CB ' ' A' ' 36' ' ' ALA . 47.2 t -102.4 146.18 10.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.422 ' N ' HG12 ' A' ' 22' ' ' VAL . 68.8 t -114.09 145.39 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.43 ' HB ' ' CB ' ' A' ' 28' ' ' ALA . 4.2 m -150.54 175.35 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.405 HG22 ' N ' ' A' ' 28' ' ' ALA . 25.1 m -72.09 145.63 12.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.6 -25.89 0.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -128.35 65.54 1.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.344 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.43 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -94.57 177.96 5.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.229 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 15.2 p -129.59 -175.53 3.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.433 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.484 ' CG2' ' O ' ' A' ' 74' ' ' GLU . 91.2 t -58.17 -63.06 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 tp -42.98 -58.29 2.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 33' ' ' LEU . 19.2 t0 -42.08 -57.59 2.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.47 ' CD1' HD11 ' A' ' 37' ' ' ILE . 0.4 OUTLIER -40.13 -59.03 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.556 ' HG2' ' CE3' ' A' ' 60' ' ' TRP . 0.8 OUTLIER -51.94 -57.74 8.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.113 . . . . 0.0 109.27 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -42.67 -48.27 5.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.494 ' CB ' ' CG1' ' A' ' 22' ' ' VAL . . . -58.04 -65.97 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.47 HD11 ' CD1' ' A' ' 33' ' ' LEU . 77.5 mt -39.43 -35.77 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.41 ' OE1' ' NE1' ' A' ' 60' ' ' TRP . 3.8 mt-30 -76.15 -49.9 16.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 36' ' ' ALA . 2.5 mtt180 -69.2 -6.86 31.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.112 . . . . 0.0 110.274 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.445 ' N ' ' O ' ' A' ' 36' ' ' ALA . 62.2 t80 -83.51 -45.15 13.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 89.8 t -87.04 -43.57 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -67.61 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.459 ' CD1' ' C ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -48.7 -42.73 35.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 109.267 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -49.68 -71.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 48' ' ' GLU . 30.6 mt-30 -48.05 -52.78 18.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.06 -58.39 2.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -57.14 -24.29 53.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.358 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 45' ' ' GLN . 18.3 mt-10 -100.88 15.32 28.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 110.26 -54.38 0.55 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.126 . . . . 0.0 111.044 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.21 -175.29 19.61 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -171.96 -178.79 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.499 0.764 . . . . 0.0 109.326 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -50.69 149.72 3.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -91.37 149.21 21.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.608 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 24.3 mt -116.86 146.0 21.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.34 70.1 1.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 110.021 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 67.6 m95 -52.99 -50.57 63.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 108.02 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 61' ' ' ARG . 10.4 t -39.66 -57.84 1.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.03 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -61.05 -48.55 81.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.8 t -51.88 -39.91 26.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.556 ' CE3' ' HG2' ' A' ' 34' ' ' LYS . 68.3 m95 -81.31 -30.09 34.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 108.022 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 57' ' ' SER . 0.0 OUTLIER -90.3 36.82 0.88 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.526 HG21 ' CE1' ' A' ' 63' ' ' TYR . 3.1 m -161.47 -44.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.362 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.526 ' CE1' HG21 ' A' ' 62' ' ' THR . 84.6 m-85 -110.41 140.96 44.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -116.2 163.43 15.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.612 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.56 HD22 ' CZ ' ' A' ' 92' ' ' PHE . 35.1 mt -94.08 121.92 36.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.91 160.42 16.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.392 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.1 t -135.9 -87.91 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.33 -85.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.082 . . . . 0.0 109.328 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -134.65 24.58 3.49 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -126.78 152.19 47.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 0.778 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.465 ' CE ' HD13 ' A' ' 93' ' ' ILE . 5.0 mttp -101.82 112.75 25.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.432 HD23 ' CD1' ' A' ' 82' ' ' TYR . 14.8 mt -68.33 86.89 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.7 p -111.06 -64.47 1.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.409 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.484 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -44.46 137.28 3.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.264 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.01 -47.64 5.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -56.86 -20.48 23.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.2 tttt -84.58 132.45 34.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.67 154.12 30.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.418 HD22 ' N ' ' A' ' 30' ' ' VAL . 34.7 mt -62.27 -37.32 85.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.492 ' CZ ' ' OD1' ' A' ' 81' ' ' ASP . 0.4 OUTLIER -60.57 -31.26 70.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 110.323 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.492 ' OD1' ' CZ ' ' A' ' 80' ' ' ARG . 2.7 m-20 -74.61 -17.19 60.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.432 ' CD1' HD23 ' A' ' 72' ' ' LEU . 1.2 m-85 -91.49 -3.15 56.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 93.3 6.13 63.13 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.512 1.133 . . . . 0.0 110.996 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.43 HG22 ' N ' ' A' ' 85' ' ' ARG . 68.1 mt -85.91 154.54 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.745 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.474 ' N ' ' CD ' ' A' ' 85' ' ' ARG . 0.0 OUTLIER -148.15 -174.3 4.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -66.87 144.48 56.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 57.55 61.01 2.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -115.27 172.6 6.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -118.91 109.2 15.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.334 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.6 t -111.88 148.22 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.95 165.14 22.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.0 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.56 ' CZ ' HD22 ' A' ' 65' ' ' LEU . 0.5 OUTLIER -96.67 149.66 21.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 111.0 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.465 HD13 ' CE ' ' A' ' 71' ' ' LYS . 16.1 tt -142.41 161.98 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.506 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 0.5 OUTLIER -118.39 149.75 40.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -63.77 -179.12 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.47 166.53 14.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -142.22 165.96 26.52 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.539 1.149 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -133.94 -60.73 0.81 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.561 0.8 . . . . 0.0 110.317 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -171.45 108.49 0.27 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -133.33 168.25 18.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.169 . . . . 0.0 109.993 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -52.98 157.33 4.45 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.467 1.105 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 176.35 10.02 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.782 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.9 m 57.7 164.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 110.01 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.0 t -175.44 90.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.021 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -42.2 105.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 0.78 . . . . 0.0 110.031 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 56.97 103.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.117 . . . . 0.0 110.007 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.99 155.17 12.01 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.1 p -139.02 -59.76 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 0.756 . . . . 0.0 109.997 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.21 160.48 15.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.961 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.02 -161.61 12.66 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.0 -179.47 6.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 0.794 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -124.46 98.14 5.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.405 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.431 ' CG1' HD23 ' A' ' 33' ' ' LEU . 93.7 t -92.65 106.52 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.3 mtt180 -78.17 119.8 22.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.444 HG11 ' CE2' ' A' ' 92' ' ' PHE . 17.6 t -99.33 95.73 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 51.3 t -77.48 83.52 3.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 108.315 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -40.56 156.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.251 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.556 ' SD ' ' CE2' ' A' ' 63' ' ' TYR . 1.2 ptp -55.01 -37.75 67.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.46 -57.86 11.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 162.76 -56.7 0.29 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -46.86 124.26 6.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.77 . . . . 0.0 110.297 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.9 p -99.86 148.61 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.503 ' HE3' ' CD2' ' A' ' 40' ' ' TYR . 6.5 mtp -124.25 123.75 25.92 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 111.06 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 108.48 2.72 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.782 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.475 ' CG1' ' CB ' ' A' ' 36' ' ' ALA . 63.3 t -104.35 150.2 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.153 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 41.9 t -114.07 145.64 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.465 ' HB ' ' CB ' ' A' ' 28' ' ' ALA . 15.3 m -153.94 168.68 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.407 HG23 ' N ' ' A' ' 28' ' ' ALA . 13.5 m -61.53 159.34 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -57.19 -16.96 9.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 110.333 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -141.51 65.47 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.465 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -87.36 179.42 6.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.3 p -131.05 -177.46 4.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.412 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.421 ' CG2' ' O ' ' A' ' 74' ' ' GLU . 70.3 t -58.32 -44.9 89.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.6 tp -57.41 -59.62 4.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -44.65 -57.02 3.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.463 ' CD1' HD12 ' A' ' 37' ' ' ILE . 0.4 OUTLIER -40.6 -59.2 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 109.268 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.453 ' HG2' ' CE3' ' A' ' 60' ' ' TRP . 0.1 OUTLIER -49.82 -60.2 3.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.24 -51.14 14.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.475 ' CB ' ' CG1' ' A' ' 22' ' ' VAL . . . -50.44 -65.63 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.463 HD12 ' CD1' ' A' ' 33' ' ' LEU . 74.4 mt -40.19 -33.08 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.404 ' N ' ' C ' ' A' ' 36' ' ' ALA . 2.5 mt-30 -78.84 -53.11 7.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -8.86 22.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.514 ' CD2' HG21 ' A' ' 41' ' ' VAL . 43.0 t80 -79.9 -42.6 23.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.514 HG21 ' CD2' ' A' ' 40' ' ' TYR . 82.6 t -94.83 -50.62 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -42.9 -70.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.34 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mt -50.14 -34.21 21.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.04 -66.25 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.147 . . . . 0.0 109.34 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 49' ' ' GLY . 30.2 mt-30 -52.97 -43.02 66.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -55.48 18.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.81 -14.06 62.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -111.31 17.79 19.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 45' ' ' GLN . . . 52.85 77.37 0.14 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.469 1.106 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -149.79 97.44 0.18 Allowed Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 28.0 m -55.24 141.97 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.54 0.788 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -48.81 147.12 2.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.103 . . . . 0.0 110.322 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -167.52 45.94 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.618 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.556 HD11 ' CZ2' ' A' ' 56' ' ' TRP . 13.9 mt -141.41 119.96 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.52 68.54 2.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.973 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.561 ' HB3' ' CD1' ' A' ' 60' ' ' TRP . 75.2 m95 -53.26 -34.94 59.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 108.02 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.437 ' O ' ' CB ' ' A' ' 61' ' ' ARG . 16.7 m -49.63 -58.53 5.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -61.15 -53.36 57.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 73.5 t -47.69 -58.47 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.561 ' CD1' ' HB3' ' A' ' 56' ' ' TRP . 44.0 m95 -63.17 -38.32 90.69 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.437 ' CB ' ' O ' ' A' ' 57' ' ' SER . 0.3 OUTLIER -88.65 41.55 1.03 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 110.284 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.469 HG23 ' CE1' ' A' ' 63' ' ' TYR . 17.5 m -158.36 -45.21 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 110.404 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.556 ' CE2' ' SD ' ' A' ' 15' ' ' MET . 83.3 m-85 -121.61 161.47 22.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -130.97 176.57 8.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.613 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.565 HD22 ' CZ ' ' A' ' 92' ' ' PHE . 4.5 mt -104.52 131.61 51.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 67' ' ' SER . 1.6 t -108.3 174.85 5.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.375 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.443 ' N ' ' OG1' ' A' ' 66' ' ' THR . 1.0 OUTLIER -179.23 132.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.047 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 69.52 -64.56 0.34 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.253 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 67' ' ' SER . . . 170.74 39.43 0.03 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.453 1.096 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -146.16 159.98 42.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 0.787 . . . . 0.0 110.299 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -90.27 118.89 30.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.659 ' CD2' ' CD1' ' A' ' 82' ' ' TYR . 15.0 mt -80.87 79.17 7.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.8 p -105.57 -19.76 13.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 110.366 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.421 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.5 OUTLIER -76.38 115.05 15.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.03 -33.8 33.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -75.58 -18.06 59.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.401 ' CB ' ' HB3' ' A' ' 74' ' ' GLU . 2.4 tttt -85.21 122.39 29.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.23 159.72 30.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 95.3 mt -65.83 -41.61 91.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.53 -23.6 58.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 110.339 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -72.42 -17.4 61.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.659 ' CD1' ' CD2' ' A' ' 72' ' ' LEU . 14.9 m-85 -102.55 12.36 36.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 111.056 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 77.68 24.27 65.35 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 33.3 mt -95.95 128.16 47.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 0.779 . . . . 0.0 109.253 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -126.09 -175.38 3.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -63.29 135.56 57.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 63.13 69.74 0.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.29 165.38 17.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -112.6 113.63 25.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.4 t -111.84 151.98 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.21 167.26 17.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.025 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.565 ' CZ ' HD22 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -102.88 130.53 49.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.978 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.5 tt -110.31 169.18 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.424 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 11.8 tttt -115.15 149.43 37.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.401 ' N ' ' HG2' ' A' ' 94' ' ' LYS . 5.6 mtpt -60.48 172.77 0.81 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.13 85.86 5.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.36 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 63.83 91.06 0.03 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.544 1.152 . . . . 0.0 111.001 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -163.72 120.28 1.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 0.754 . . . . 0.0 110.256 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -165.35 128.68 2.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.2 p 179.08 120.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 110.03 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 129.77 141.42 5.01 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -178.65 4.32 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.48 1.779 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 84.2 p -146.7 129.71 16.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.975 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.03 133.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.006 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 t -83.27 153.99 24.38 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.443 0.731 . . . . 0.0 109.984 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.8 p -167.45 149.06 5.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 110.029 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.38 -129.83 0.11 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.466 1.103 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.79 117.94 1.28 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 0.777 . . . . 0.0 109.956 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.9 t -171.77 100.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.014 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.76 -144.2 5.94 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.403 ' SD ' ' O ' ' A' ' 25' ' ' VAL . 1.5 ptm -149.2 171.9 15.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 0.769 . . . . 0.0 110.977 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -124.48 103.41 8.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.394 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.463 ' CG1' HD23 ' A' ' 33' ' ' LEU . 88.1 t -98.19 98.49 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -71.83 112.04 7.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 110.278 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.514 ' CG1' ' O ' ' A' ' 12' ' ' VAL . 0.3 OUTLIER -90.77 114.1 27.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.0 m -89.61 88.72 7.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 108.319 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.4 ' HA ' ' CD1' ' A' ' 92' ' ' PHE . 54.0 mtmt -41.03 151.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -46.29 -52.14 13.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -142.38 50.87 1.48 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -143.08 -178.48 18.97 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.122 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 19' ' ' VAL . 2.0 tt0 -79.53 117.01 20.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 0.729 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 18' ' ' GLU . 0.2 OUTLIER -39.5 147.04 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.571 ' HE1' ' CD1' ' A' ' 40' ' ' TYR . 3.6 mtp -128.84 125.62 23.01 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 109.55 2.95 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.484 1.781 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.457 ' CG1' ' CB ' ' A' ' 36' ' ' ALA . 57.6 t -101.91 151.92 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.6 p -119.22 146.35 24.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.442 ' HB ' ' CB ' ' A' ' 28' ' ' ALA . 11.3 m -153.68 -179.53 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.414 HG22 ' N ' ' A' ' 28' ' ' ALA . 34.8 m -76.33 156.23 5.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -19.09 4.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 41.1 p-10 -132.23 61.36 1.66 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.442 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -87.97 170.09 11.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 29.8 p -131.08 170.31 14.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 110.391 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 74' ' ' GLU . 55.0 t -44.94 -42.6 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.9 tp -58.44 -64.55 0.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 33' ' ' LEU . 5.8 t70 -41.26 -54.55 2.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.463 HD23 ' CG1' ' A' ' 10' ' ' VAL . 0.4 OUTLIER -40.2 -62.77 0.7 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.84 -56.17 15.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -46.64 -45.75 19.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.457 ' CB ' ' CG1' ' A' ' 22' ' ' VAL . . . -58.6 -69.08 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.457 HD12 ' CD1' ' A' ' 33' ' ' LEU . 42.4 mt -40.88 -32.14 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -75.6 -56.84 4.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -66.15 -8.15 22.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.571 ' CD1' ' HE1' ' A' ' 20' ' ' MET . 35.6 t80 -83.6 -40.53 18.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 111.04 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 65.8 t -94.72 -44.96 13.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -50.84 -70.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 44' ' ' LYS . 3.9 mt -52.0 -59.92 3.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 43' ' ' LEU . 1.5 ttpt -40.14 -58.48 1.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 49' ' ' GLY . 75.6 mt-30 -57.31 -47.79 80.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.74 -51.67 9.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -24.28 63.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 45' ' ' GLN . 23.4 mt-10 -102.05 20.76 15.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.319 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 45' ' ' GLN . . . 40.54 85.76 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.5 1.125 . . . . 0.0 110.954 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -117.07 -159.95 11.66 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.2 p -85.37 130.61 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.307 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.401 ' CD ' ' O ' ' A' ' 52' ' ' GLN . 2.5 pp0? -55.05 104.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 14.8 m80 58.29 159.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.539 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 73.6 mt -131.64 55.92 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.247 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 27.9 p 39.55 58.99 1.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.002 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 77.5 m95 -66.97 -39.67 87.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 108.003 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.6 m -44.21 -60.42 1.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.965 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.421 ' O ' ' N ' ' A' ' 61' ' ' ARG . 36.2 t80 -60.91 -51.6 68.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.4 t -45.14 -51.92 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -70.3 -30.22 67.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 107.975 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -91.01 38.83 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.27 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.57 HG22 ' CE2' ' A' ' 63' ' ' TYR . 89.1 m -154.93 -44.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.424 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.57 ' CE2' HG22 ' A' ' 62' ' ' THR . 96.4 m-85 -121.44 149.91 42.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -118.79 165.29 14.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.605 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.495 HD23 ' CZ ' ' A' ' 92' ' ' PHE . 54.3 mt -94.04 137.99 32.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.435 ' OG1' ' N ' ' A' ' 67' ' ' SER . 3.6 t -129.59 178.06 6.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.383 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 69' ' ' GLY . 1.5 t 175.08 137.33 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.949 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 69.5 -64.55 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.341 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 67' ' ' SER . . . 167.81 40.5 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -146.5 140.67 26.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.752 . . . . 0.0 110.287 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -79.04 118.51 21.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.486 ' CD2' ' CD1' ' A' ' 82' ' ' TYR . 2.1 mt -89.33 84.04 6.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 66.6 p -104.6 -37.95 6.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.379 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.495 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -57.77 130.78 48.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.25 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.54 -39.03 9.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.7 mmt85 -66.17 -17.45 64.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 110.34 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -86.05 141.47 29.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.19 151.79 22.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 26.9 mt -64.53 -39.35 93.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.27 -17.5 53.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.274 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.12 -10.62 43.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.486 ' CD1' ' CD2' ' A' ' 72' ' ' LEU . 1.0 OUTLIER -101.21 -1.72 33.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 111.043 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 100.64 -9.96 58.96 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.506 1.129 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 49.8 mt -79.68 116.28 23.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 0.769 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 30.6 mmm-85 -118.1 -174.69 2.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.4 ' HA ' ' CB ' ' A' ' 8' ' ' MET . 4.2 t30 -55.09 137.48 46.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 62.28 60.24 1.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.57 -176.53 3.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -135.54 140.51 44.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.2 t -134.21 152.41 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.01 168.12 13.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.989 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.495 ' CZ ' HD23 ' A' ' 65' ' ' LEU . 5.6 m-85 -104.86 135.46 46.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.1 tt -119.39 167.4 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.446 ' HB2' ' CE1' ' A' ' 63' ' ' TYR . 12.7 ttmt -114.06 149.9 34.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.401 ' N ' ' HG2' ' A' ' 94' ' ' LYS . 17.1 mttt -57.15 165.49 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.71 124.09 22.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -69.57 162.65 52.08 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.557 1.161 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -159.56 167.76 27.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 110.329 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.91 145.94 46.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 54.22 95.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.025 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -160.4 66.87 0.26 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 145.08 31.08 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.455 1.766 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 97.4 p -147.43 148.62 31.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.037 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.2 m -151.78 159.54 43.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.971 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.975 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.96 170.42 12.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 0.776 . . . . 0.0 110.02 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 p -52.88 130.05 32.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.992 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.41 145.61 4.31 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.4 m -141.59 82.42 1.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.771 . . . . 0.0 110.033 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -156.03 109.89 2.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.996 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.12 -160.52 24.15 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.493 1.121 . . . . 0.0 110.952 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.467 ' SD ' ' CG2' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -139.87 173.71 11.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 111.024 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -123.97 105.6 9.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.425 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.1 t -101.53 124.79 55.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.436 ' HG2' ' CG1' ' A' ' 19' ' ' VAL . 0.2 OUTLIER -96.4 139.11 33.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.472 ' CG2' HD11 ' A' ' 37' ' ' ILE . 3.0 t -101.3 123.28 54.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 t -89.54 83.39 6.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 108.317 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.5 -80.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 18.6 mtt -140.18 38.31 1.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 68.12 35.06 3.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -139.5 -65.3 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.52 1.138 . . . . 0.0 110.942 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -102.81 143.03 32.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 0.758 . . . . 0.0 110.298 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.436 ' CG1' ' HG2' ' A' ' 11' ' ' ARG . 27.8 t -130.13 142.75 42.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.7 mtp -124.64 122.46 25.74 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.556 ' O ' ' CE2' ' A' ' 40' ' ' TYR . 18.4 Cg_endo -75.01 109.25 2.89 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.45 1.763 . . . . 0.0 111.048 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.453 ' CG2' HG12 ' A' ' 37' ' ' ILE . 85.5 t -103.35 150.27 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 109.373 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.7 p -119.71 144.65 27.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.467 ' CG2' ' SD ' ' A' ' 8' ' ' MET . 20.2 m -153.16 163.3 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.415 HG21 ' N ' ' A' ' 28' ' ' ALA . 35.3 m -58.83 153.47 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.76 -20.29 3.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -136.31 66.85 1.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.087 . . . . 0.0 109.341 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.415 ' N ' HG21 ' A' ' 25' ' ' VAL . . . -90.91 178.98 5.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 42.0 p -127.54 -176.1 3.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.388 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.47 ' CG2' ' O ' ' A' ' 74' ' ' GLU . 82.9 t -61.18 -38.07 78.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 tp -61.95 -60.83 3.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 33' ' ' LEU . 3.1 t0 -41.15 -55.45 2.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.562 ' CD1' ' CD1' ' A' ' 37' ' ' ILE . 0.4 OUTLIER -39.9 -70.56 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.472 ' HG2' ' CZ3' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -44.16 -61.27 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -42.54 -58.23 2.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 40' ' ' TYR . . . -46.9 -67.64 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.562 ' CD1' ' CD1' ' A' ' 33' ' ' LEU . 71.7 mt -39.52 -33.64 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -78.79 -55.46 5.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.325 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.485 ' O ' ' CD2' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -62.0 -12.16 17.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 110.348 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.556 ' CE2' ' O ' ' A' ' 21' ' ' PRO . 58.6 t80 -81.5 -42.82 19.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.3 t -91.98 -45.28 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.338 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -50.57 -69.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.485 ' CD2' ' O ' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -46.96 -39.77 13.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.84 -71.1 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -54.74 -41.32 70.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.331 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.28 -49.37 23.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -70.04 -24.48 63.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -94.57 14.69 20.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.292 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.52 52.87 4.28 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 111.048 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 42.14 -159.81 0.05 OUTLIER Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.457 HG13 ' CD1' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -142.2 -175.45 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.558 0.799 . . . . 0.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -53.59 -68.97 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -167.47 145.61 4.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.572 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.457 ' CD1' HG13 ' A' ' 51' ' ' VAL . 11.0 mt -139.51 129.77 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.37 73.08 0.9 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.107 . . . . 0.0 109.965 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 24.5 m95 -58.78 -46.47 87.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 107.991 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.473 ' O ' ' CB ' ' A' ' 61' ' ' ARG . 2.3 m -40.79 -56.5 2.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 110.01 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -58.99 -55.66 32.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 41.6 t -44.57 -62.78 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.472 ' CZ3' ' HG2' ' A' ' 34' ' ' LYS . 69.9 m95 -60.55 -36.5 78.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 107.993 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.473 ' CB ' ' O ' ' A' ' 57' ' ' SER . 0.2 OUTLIER -87.44 43.66 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.9 m -161.63 -43.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.37 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -120.3 141.34 50.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -112.59 174.63 5.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.618 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.572 ' CD2' ' CE1' ' A' ' 92' ' ' PHE . 17.2 mt -108.89 121.08 44.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.2 t -112.87 178.19 4.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.387 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 70' ' ' GLU . 6.8 t 171.5 147.43 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.961 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 46.83 30.99 1.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 65.51 35.99 91.97 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 67' ' ' SER . 0.7 OUTLIER -137.6 137.75 38.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 110.28 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.5 mttt -76.64 126.8 31.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.543 HD22 ' CE1' ' A' ' 82' ' ' TYR . 8.0 mt -93.89 71.02 4.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.8 p -98.43 -45.35 6.16 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.151 . . . . 0.0 110.448 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.47 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -51.51 125.35 14.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.248 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.51 -37.28 12.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 22.3 mmt-85 -63.47 -26.6 68.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.414 ' CE ' ' HB3' ' A' ' 81' ' ' ASP . 27.1 tttt -76.95 154.33 33.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -98.02 153.03 18.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 43.0 mt -61.31 -37.13 82.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.3 ttt85 -62.83 -47.94 81.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.414 ' HB3' ' CE ' ' A' ' 77' ' ' LYS . 13.6 m-20 -58.09 -17.94 21.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.543 ' CE1' HD22 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -91.7 -6.66 51.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 111.024 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 99.65 3.85 56.07 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 10.6 mt -94.08 104.86 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 0.762 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -104.88 -174.72 2.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 110.334 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.433 ' HA ' ' CB ' ' A' ' 8' ' ' MET . 3.6 p-10 -57.49 136.0 56.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 64.82 63.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -128.15 158.74 37.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -112.48 128.84 56.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.3 t -110.61 152.57 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.255 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.98 166.15 11.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.991 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.572 ' CE1' ' CD2' ' A' ' 65' ' ' LEU . 1.6 m-85 -114.63 124.17 51.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.5 tt -105.75 163.36 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 38.7 tttt -108.49 162.5 14.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -93.75 22.15 5.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.3 tt -138.82 138.88 37.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 161.97 102.81 0.18 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.437 1.086 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -103.01 28.14 6.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 0.755 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.09 -55.01 1.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 42.03 86.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.967 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -82.62 -163.04 32.67 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 110.957 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 161.72 38.32 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.465 1.771 . . . . 0.0 111.04 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.5 m -52.07 -55.81 18.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.4 t 60.21 95.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.987 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.464 1.102 . . . . 0.0 110.987 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m -62.56 115.09 3.96 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.472 0.748 . . . . 0.0 109.954 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.7 m 61.53 159.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.022 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.93 91.16 0.19 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.461 1.101 . . . . 0.0 111.059 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.17 173.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 0.787 . . . . 0.0 109.973 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.4 175.95 1.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.008 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.89 -156.16 26.53 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.467 ' CG ' HG23 ' A' ' 24' ' ' VAL . 1.2 ptm -147.89 157.25 43.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.772 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 m -105.15 108.13 19.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.414 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.3 t -106.74 124.06 62.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.469 ' HG2' ' CG1' ' A' ' 19' ' ' VAL . 2.6 mpt_? -87.76 158.81 18.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.407 HG21 ' CD1' ' A' ' 37' ' ' ILE . 74.5 t -133.23 131.18 58.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.6 t -102.31 84.57 2.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 108.302 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -49.47 156.18 0.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.7 ptt? -53.75 -42.53 68.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 111.042 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -149.97 48.15 0.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -133.15 -155.87 7.92 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.73 173.72 6.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 110.278 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.469 ' CG1' ' HG2' ' A' ' 11' ' ' ARG . 61.7 t -75.19 137.42 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.2 mtp -125.73 122.38 24.63 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.998 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 108.88 2.81 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.456 1.766 . . . . 0.0 111.054 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.456 ' CG2' HG12 ' A' ' 37' ' ' ILE . 95.7 t -101.63 150.87 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.0 t -117.5 136.3 55.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.467 HG23 ' CG ' ' A' ' 8' ' ' MET . 0.7 OUTLIER -145.61 -177.19 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.423 ' CG2' ' HB3' ' A' ' 28' ' ' ALA . 18.3 m -82.68 151.56 4.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -51.14 -21.29 1.87 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.097 . . . . 0.0 110.288 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -135.08 66.31 1.53 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.423 ' HB3' ' CG2' ' A' ' 25' ' ' VAL . . . -95.81 173.95 7.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.256 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.3 p -125.27 -176.58 3.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 110.398 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.406 ' N ' HD22 ' A' ' 79' ' ' LEU . 92.1 t -58.39 -45.38 89.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.466 ' CG ' ' HB3' ' A' ' 75' ' ' ASP . 0.6 OUTLIER -54.07 -61.66 2.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.254 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 33' ' ' LEU . 8.2 m-20 -43.32 -54.79 4.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.465 ' CD1' ' CD1' ' A' ' 37' ' ' ILE . 0.3 OUTLIER -39.81 -52.61 2.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.331 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.461 ' HG2' ' CE3' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -57.86 -52.1 66.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.22 -51.15 59.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.425 ' CB ' ' CG1' ' A' ' 22' ' ' VAL . . . -52.39 -70.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.465 ' CD1' ' CD1' ' A' ' 33' ' ' LEU . 87.2 mt -39.81 -34.36 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.423 ' HG2' ' CE2' ' A' ' 56' ' ' TRP . 3.1 mt-30 -73.96 -62.92 1.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.463 ' O ' ' CD2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -53.58 -18.89 3.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -76.57 -42.04 44.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.8 t -87.19 -47.26 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -53.89 -69.31 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.493 ' CD1' ' C ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -43.27 -37.76 2.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.112 . . . . 0.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.85 -72.2 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -50.8 -41.91 57.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.541 1.15 . . . . 0.0 110.288 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.28 -48.25 12.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.264 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.31 -52.32 3.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -85.39 -24.83 27.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.64 66.0 0.51 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -48.77 176.39 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 53' ' ' HIS . 4.0 t -60.97 142.27 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -51.33 93.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.404 ' N ' ' O ' ' A' ' 51' ' ' VAL . 1.6 t60 63.15 135.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.591 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.563 HG12 ' CD1' ' A' ' 56' ' ' TRP . 0.7 OUTLIER -111.1 152.05 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.354 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.414 ' N ' HG13 ' A' ' 54' ' ' ILE . 0.4 OUTLIER -92.46 71.16 5.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.563 ' CD1' HG12 ' A' ' 54' ' ' ILE . 60.5 m95 -73.93 -38.49 64.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 108.023 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -39.79 -62.02 0.76 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -49.36 -52.86 25.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 77.7 t -47.21 -56.1 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.461 ' CE3' ' HG2' ' A' ' 34' ' ' LYS . 50.9 m95 -65.15 -27.93 69.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 107.98 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.3 39.98 0.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.486 HG21 ' CE1' ' A' ' 63' ' ' TYR . 5.1 m -159.61 -43.69 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.387 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.531 ' CE2' ' HG3' ' A' ' 94' ' ' LYS . 89.3 m-85 -116.29 151.86 35.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.457 ' HB2' ' CG2' ' A' ' 93' ' ' ILE . 80.9 m-70 -118.02 171.87 7.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.599 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.566 HD21 ' CE1' ' A' ' 92' ' ' PHE . 87.3 mt -110.54 132.05 54.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.96 159.83 22.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.387 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.448 ' O ' ' CB ' ' A' ' 68' ' ' ALA . 0.2 OUTLIER -163.94 127.19 2.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 110.001 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 67' ' ' SER . . . 79.74 -52.65 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 172.73 -31.19 0.11 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -74.14 169.51 17.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 0.0 110.33 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -106.92 117.18 33.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 65' ' ' LEU . 14.2 mt -71.8 108.95 5.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 68.1 p -128.05 -45.65 1.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.397 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.15 120.03 11.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.466 ' HB3' ' CG ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -86.37 -36.18 19.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -67.44 -18.17 64.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.328 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.48 ' HD3' ' CE2' ' A' ' 82' ' ' TYR . 11.6 tttt -88.73 125.12 34.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.41 160.12 28.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.264 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.406 HD22 ' N ' ' A' ' 30' ' ' VAL . 20.9 mt -68.55 -35.08 76.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.097 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -60.9 -42.24 97.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.437 ' HB3' ' CE ' ' A' ' 77' ' ' LYS . 17.2 m-20 -54.78 -29.65 54.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.48 ' CE2' ' HD3' ' A' ' 77' ' ' LYS . 6.2 m-85 -85.83 3.14 42.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 84.16 9.74 81.65 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.529 1.143 . . . . 0.0 111.043 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 50.9 mt -79.96 141.43 15.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.474 0.749 . . . . 0.0 109.339 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.1 mmt85 -133.98 -172.29 2.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -75.81 144.96 41.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 71.39 31.17 2.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -91.28 -179.05 5.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -134.18 116.13 15.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.3 t -104.45 151.93 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.53 161.59 25.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.959 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.566 ' CE1' HD21 ' A' ' 65' ' ' LEU . 0.7 OUTLIER -106.14 151.88 24.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.457 ' CG2' ' HB2' ' A' ' 64' ' ' HIS . 1.3 tt -135.77 161.34 38.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.531 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 7.8 tttt -116.33 134.53 54.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -49.38 167.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.1 134.7 55.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 140.0 -128.65 3.97 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -39.26 151.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 0.747 . . . . 0.0 110.273 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.0 pttm -172.15 131.92 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.54 141.54 28.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -149.29 65.78 0.39 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.442 1.089 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 62.69 5.87 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.528 1.804 . . . . 0.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.6 t 55.16 102.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.975 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.7 t 70.46 -61.75 0.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.96 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m 57.14 109.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 0.788 . . . . 0.0 110.0 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.98 -60.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.34 -176.42 14.35 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.6 t -178.74 83.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 0.0 109.956 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.4 p -137.69 108.54 6.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.17 . . . . 0.0 110.026 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.03 -160.56 30.45 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.29 166.94 26.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 0.796 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -118.93 97.49 5.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.367 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 22' ' ' VAL . 98.9 t -87.17 114.52 26.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.4 mtt85 -83.06 117.37 22.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.331 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 73.9 t -96.61 98.92 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.349 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 14' ' ' LYS . 3.2 m -84.9 91.59 8.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 108.257 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 13' ' ' CYS . 54.0 mtmt -37.95 -90.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.447 ' CG ' ' N ' ' A' ' 16' ' ' ASP . 2.0 ptt? -178.34 -49.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.447 ' N ' ' CG ' ' A' ' 15' ' ' MET . 18.8 t0 -130.52 32.17 4.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -135.99 -145.06 5.01 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -115.77 116.54 28.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 0.77 . . . . 0.0 110.319 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -42.43 142.84 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.7 mtp -115.98 122.33 32.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 111.036 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 109.25 2.9 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.436 1.756 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 10' ' ' VAL . 99.2 t -103.46 150.41 6.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.485 ' O ' ' CG1' ' A' ' 24' ' ' VAL . 79.4 t -113.78 153.0 15.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.485 ' CG1' ' O ' ' A' ' 23' ' ' VAL . 5.4 m -160.52 173.94 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.9 m -73.82 152.77 7.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -21.94 1.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -131.24 63.58 1.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.465 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -91.05 178.17 6.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.579 1.175 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 82.3 p -128.83 -174.5 3.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.364 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.402 ' N ' HD22 ' A' ' 79' ' ' LEU . 86.8 t -64.14 -46.4 93.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.477 ' CD2' ' HE2' ' A' ' 35' ' ' LYS . 1.1 mt -52.56 -64.94 0.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.268 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 33' ' ' LEU . 1.2 m-20 -40.17 -55.29 2.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.47 ' CD1' HD13 ' A' ' 37' ' ' ILE . 0.4 OUTLIER -39.81 -50.22 2.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.413 ' HG2' ' CZ3' ' A' ' 60' ' ' TRP . 1.1 mptp? -67.09 -48.78 67.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.477 ' HE2' ' CD2' ' A' ' 31' ' ' LEU . 39.9 mttm -50.98 -53.39 33.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 40' ' ' TYR . . . -53.67 -63.19 1.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.47 HD13 ' CD1' ' A' ' 33' ' ' LEU . 55.2 mt -39.35 -35.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -76.14 -50.23 15.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -68.28 -6.49 24.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.434 ' O ' ' CB ' ' A' ' 44' ' ' LYS . 8.1 t80 -86.07 -39.05 17.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 111.029 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.4 t -94.94 -42.42 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -54.81 -70.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 mt -51.79 -52.21 50.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 40' ' ' TYR . 17.4 tttt -46.04 -59.19 3.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -55.49 -53.84 51.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.326 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.97 -49.07 4.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -61.3 -43.36 99.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.305 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -74.94 -5.01 41.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 154.06 -86.74 0.13 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.515 1.135 . . . . 0.0 110.983 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 129.59 150.41 7.02 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -170.62 177.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -58.94 151.92 20.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.27 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 14.7 m80 -60.0 148.75 34.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.598 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 4.5 mp -85.73 49.5 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.0 m 40.21 64.6 0.88 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 81.9 m95 -70.93 -45.88 63.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 107.988 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.2 m -41.0 -50.69 3.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.976 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -63.97 -50.74 67.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 110.977 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.7 t -50.77 -53.79 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.413 ' CZ3' ' HG2' ' A' ' 34' ' ' LYS . 40.8 m95 -65.38 -34.1 77.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 108.015 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -90.76 37.74 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.1 m -157.29 -47.06 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.389 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.444 ' CE1' ' HB2' ' A' ' 94' ' ' LYS . 72.4 m-85 -112.88 160.92 17.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.428 1.08 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -133.53 171.42 14.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.605 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.573 HD23 ' CZ ' ' A' ' 92' ' ' PHE . 28.2 mt -102.66 138.29 39.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.13 166.54 15.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.412 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.493 ' OG ' ' CD2' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -167.99 128.55 1.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.022 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 69.17 -64.9 0.31 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 67' ' ' SER . . . 173.32 38.56 0.04 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.506 1.128 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -140.62 145.06 36.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -79.82 119.31 22.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.493 ' CD2' ' OG ' ' A' ' 67' ' ' SER . 21.7 mt -80.1 86.78 5.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.4 p -107.67 -59.93 1.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.411 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.05 121.1 3.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.467 ' HB3' ' CD1' ' A' ' 31' ' ' LEU . 0.1 OUTLIER -91.26 -35.89 14.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.113 . . . . 0.0 109.284 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -12.64 56.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.245 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.4 tttt -90.34 149.0 22.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.96 146.32 23.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.145 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.402 HD22 ' N ' ' A' ' 30' ' ' VAL . 38.1 mt -58.37 -42.12 86.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.58 -36.5 74.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.07 -15.41 63.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -95.65 -3.01 46.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 97.3 5.91 57.87 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.551 1.157 . . . . 0.0 111.022 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 24.0 mt -92.53 103.89 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -102.62 -174.56 2.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -61.29 139.71 58.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 62.11 60.61 1.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -114.42 172.47 7.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -122.17 109.06 14.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.1 t -107.28 147.44 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.12 167.11 15.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.02 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.573 ' CZ ' HD23 ' A' ' 65' ' ' LEU . 0.6 OUTLIER -102.25 138.95 38.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 111.03 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.7 tt -118.54 163.02 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.444 ' HB2' ' CE1' ' A' ' 63' ' ' TYR . 4.4 ttmt -114.08 147.15 39.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.404 ' N ' ' HG2' ' A' ' 94' ' ' LYS . 5.5 mtpt -69.51 -176.63 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.0 109.07 19.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 150.71 136.55 2.55 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.135 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -99.58 103.19 14.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.744 . . . . 0.0 110.249 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -113.95 130.92 56.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 40.3 p -66.52 139.08 57.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.031 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 151.87 85.3 0.05 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 115.15 4.2 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.463 1.77 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.5 t -95.03 101.3 13.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.992 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 62.7 p -104.12 -60.11 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.004 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.468 1.105 . . . . 0.0 111.024 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -153.06 88.13 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 0.742 . . . . 0.0 110.028 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t 64.52 119.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.973 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.9 87.95 0.11 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.477 1.11 . . . . 0.0 110.956 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.67 101.61 11.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.749 . . . . 0.0 109.983 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.07 78.2 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.007 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.38 -166.38 38.83 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.52 1.138 . . . . 0.0 111.004 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.417 ' CB ' ' HA ' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -146.49 174.1 11.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 110.996 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -118.08 99.68 7.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.384 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.466 ' CG1' HD21 ' A' ' 33' ' ' LEU . 99.4 t -93.4 107.42 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.2 mtt85 -76.76 139.11 40.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 89.9 t -120.27 83.97 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.0 t -67.64 80.73 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 108.312 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -40.16 153.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -48.93 -41.77 35.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.38 -55.58 31.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.103 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 158.63 -45.95 0.45 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.442 1.088 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -51.54 126.08 16.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.785 . . . . 0.0 110.275 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.6 p -104.04 136.35 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 109.324 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.2 mtp -112.55 122.7 35.69 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 108.78 2.8 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.44 1.758 . . . . 0.0 110.964 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.453 ' CG2' HG12 ' A' ' 37' ' ' ILE . 94.1 t -104.58 150.05 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 24.9 t -115.7 145.38 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.459 ' HB ' ' CB ' ' A' ' 28' ' ' ALA . 3.5 m -151.84 179.61 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.407 HG21 ' N ' ' A' ' 28' ' ' ALA . 34.3 m -75.53 150.17 6.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -44.28 -36.94 2.98 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -118.26 60.33 0.79 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.459 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -77.87 178.54 7.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 78.6 p -131.21 -175.51 3.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.386 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 74' ' ' GLU . 88.0 t -64.07 -55.58 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.241 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 tp -54.52 -56.29 20.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.9 OUTLIER -41.2 -58.26 1.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.494 ' CD1' ' CD1' ' A' ' 37' ' ' ILE . 0.6 OUTLIER -39.04 -60.26 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.532 ' HG2' ' CZ3' ' A' ' 60' ' ' TRP . 0.3 OUTLIER -49.83 -56.32 10.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -43.29 -44.23 5.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 40' ' ' TYR . . . -64.07 -66.1 0.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.494 ' CD1' ' CD1' ' A' ' 33' ' ' LEU . 80.5 mt -39.83 -35.14 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.444 ' HG2' ' CD1' ' A' ' 56' ' ' TRP . 7.2 mt-30 -74.83 -55.73 5.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.439 ' O ' ' CD2' ' A' ' 43' ' ' LEU . 14.4 mmt85 -64.18 -10.49 23.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' ALA . 39.9 t80 -82.44 -41.3 20.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 39.0 t -93.33 -44.52 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -52.06 -63.54 1.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.34 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.49 ' CD1' ' C ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -51.75 -40.73 60.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -62.25 1.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 46' ' ' GLU . 56.8 mt-30 -58.17 -49.27 77.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -38.61 -48.0 1.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.75 -55.9 4.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -80.56 -17.34 51.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 121.34 -65.69 0.47 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.53 1.144 . . . . 0.0 111.063 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 44.63 -155.45 0.32 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.6 p -117.91 129.99 73.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 0.744 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -57.19 120.81 8.73 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 65.26 141.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.631 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.428 ' O ' ' CG2' ' A' ' 54' ' ' ILE . 49.5 mt -128.52 61.86 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 59.4 m 39.89 61.27 1.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.959 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.444 ' CD1' ' HG2' ' A' ' 38' ' ' GLN . 77.5 m95 -76.19 -41.42 49.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 108.017 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.0 m -44.79 -53.95 6.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.071 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -55.21 -47.76 74.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 38.5 t -51.18 -55.41 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.347 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.532 ' CZ3' ' HG2' ' A' ' 34' ' ' LYS . 37.5 m95 -63.89 -27.51 69.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 107.993 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -91.4 36.41 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.54 HG22 ' CE2' ' A' ' 63' ' ' TYR . 91.3 m -157.26 -48.7 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.404 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.565 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 96.9 m-85 -119.61 159.52 24.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 -121.87 174.87 6.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.54 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.538 HD23 ' CE1' ' A' ' 92' ' ' PHE . 59.0 mt -104.38 112.56 25.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.425 ' CG2' ' HB ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -111.64 162.28 15.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.406 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.4 t -137.34 -53.22 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.971 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -171.96 70.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.59 -35.35 3.63 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -76.92 101.45 5.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 110.284 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.9 mttp -76.24 111.16 11.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.4 mt -71.84 88.89 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 74' ' ' GLU . 69.2 p -112.45 -72.77 0.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.424 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.485 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -41.1 136.36 1.57 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 110.338 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.53 -44.15 7.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -61.59 -22.08 64.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.448 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 9.5 tttt -79.5 141.47 36.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.09 145.11 25.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 52.1 mt -57.08 -33.15 67.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 20.3 ttt-85 -62.99 -42.07 99.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -67.93 -15.98 63.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.448 ' CD2' ' HG2' ' A' ' 77' ' ' LYS . 0.7 OUTLIER -88.75 -13.1 40.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 111.016 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 103.3 3.04 47.9 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.417 HG21 ' N ' ' A' ' 85' ' ' ARG . 62.5 mt -87.97 152.81 3.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.498 0.763 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.417 ' N ' HG21 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -152.93 -175.23 5.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.417 ' HA ' ' CB ' ' A' ' 8' ' ' MET . 25.4 t30 -43.65 158.26 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 86' ' ' ASN . 24.2 mtt180 37.44 67.77 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.279 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -110.49 140.62 44.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -95.61 110.78 22.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 5.5 t -118.86 151.72 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.95 161.35 38.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.538 ' CE1' HD23 ' A' ' 65' ' ' LEU . 2.5 m-85 -88.95 143.17 27.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.425 ' HB ' ' CG2' ' A' ' 66' ' ' THR . 13.4 tt -125.33 159.29 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.565 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 1.9 tttt -108.13 130.94 55.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -44.33 160.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.98 123.5 19.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 159.85 -72.81 0.22 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 76.67 151.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 0.781 . . . . 0.0 110.248 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.17 163.81 22.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.0 p -98.22 141.88 30.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.999 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -162.15 96.76 0.15 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -177.81 3.75 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.493 1.786 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.8 m -160.98 172.51 16.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.052 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.29 149.24 24.53 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.138 . . . . 0.0 109.975 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 111.023 179.945 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.94 107.88 18.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.749 . . . . 0.0 109.984 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.3 t -121.3 111.09 16.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 110.002 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.96 -65.0 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.542 1.151 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.91 167.07 17.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.0 109.991 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 t -161.7 124.55 3.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.049 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.15 -151.89 21.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.515 1.135 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.441 ' CG ' HG21 ' A' ' 24' ' ' VAL . 2.3 ptm -150.83 154.89 38.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.749 . . . . 0.0 111.017 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.8 m -102.75 105.11 15.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 110.394 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.4 t -101.36 119.76 50.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.247 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -88.95 148.0 24.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.0 t -117.65 140.78 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.5 t -110.71 86.02 2.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 108.302 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -56.28 143.53 33.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.59 -38.08 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -158.49 26.94 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -106.4 -177.6 23.33 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.501 1.126 . . . . 0.0 111.041 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.416 ' HG2' ' N ' ' A' ' 19' ' ' VAL . 11.6 tt0 -90.12 143.54 26.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.776 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.416 ' N ' ' HG2' ' A' ' 18' ' ' GLU . 53.3 t -54.03 140.5 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.5 mtp -128.53 122.45 21.76 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 108.52 2.74 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.487 1.782 . . . . 0.0 111.045 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.435 ' CG2' HG12 ' A' ' 37' ' ' ILE . 70.7 t -101.82 152.65 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.8 p -118.11 146.1 23.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.462 ' HB ' ' CB ' ' A' ' 28' ' ' ALA . 3.5 m -157.08 172.3 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.428 HG23 ' CA ' ' A' ' 28' ' ' ALA . 11.0 m -72.31 153.6 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.84 -21.29 7.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -129.7 56.26 1.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.173 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.462 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -85.23 174.07 9.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.6 p -130.39 177.76 7.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.428 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.6 t -51.51 -55.64 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 tp -48.04 -57.09 6.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -44.55 -56.41 4.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.451 ' CD1' ' CD1' ' A' ' 37' ' ' ILE . 0.2 OUTLIER -39.98 -54.68 2.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.448 ' HG2' ' CZ3' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -55.48 -54.39 44.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.25 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -47.9 -54.59 12.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.93 -66.73 0.34 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.451 ' CD1' ' CD1' ' A' ' 33' ' ' LEU . 85.8 mt -40.03 -34.52 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -75.54 -50.98 13.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.342 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.491 ' O ' ' CD2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -64.02 -10.78 23.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -84.8 -39.02 18.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.1 t -93.85 -40.7 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.2 tm0? -57.92 -69.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.491 ' CD2' ' O ' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -44.19 -39.8 4.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.245 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -57.48 -65.17 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -47.42 -46.8 26.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 110.288 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -49.66 62.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -60.27 -30.78 69.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 0.0 110.307 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -92.62 14.8 15.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.72 -53.12 0.83 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 123.59 147.77 7.37 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -89.95 179.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 0.738 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -56.23 -58.25 8.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -178.82 146.13 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.602 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.0 mt -120.08 120.76 64.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.01 61.36 3.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.975 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 13.8 m95 -56.74 -50.75 71.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 107.968 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 61' ' ' ARG . 27.5 m -39.47 -59.31 1.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.027 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -58.33 -44.87 88.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 111.037 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 40.1 t -54.78 -60.27 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.448 ' CZ3' ' HG2' ' A' ' 34' ' ' LYS . 51.9 m95 -62.59 -31.2 71.99 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.453 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 0.2 OUTLIER -89.64 44.89 1.23 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.554 HG21 ' CD2' ' A' ' 63' ' ' TYR . 1.6 m -162.85 -50.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.412 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.56 ' CE1' ' HB2' ' A' ' 94' ' ' LYS . 80.1 m-85 -108.95 163.92 12.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -138.88 165.24 27.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.611 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.55 HD22 ' CE1' ' A' ' 92' ' ' PHE . 11.8 mt -93.25 138.26 31.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -132.37 165.59 23.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 110.401 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 69' ' ' GLY . 1.2 t -164.83 133.28 3.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.982 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 68.9 -65.35 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 109.292 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 67' ' ' SER . . . 170.91 38.66 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -138.43 125.08 20.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.757 . . . . 0.0 110.282 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -64.93 112.69 3.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.432 ' CD2' ' CD1' ' A' ' 82' ' ' TYR . 8.3 mt -81.25 79.34 7.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 109.343 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.7 p -97.78 -50.62 4.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.61 135.3 23.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.88 -42.71 6.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -62.25 -14.11 35.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.9 tttt -87.96 131.9 34.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -77.64 150.12 34.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.9 mt -60.64 -42.21 96.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.498 1.123 . . . . 0.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.61 -29.87 62.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.27 -14.72 59.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.432 ' CD1' ' CD2' ' A' ' 72' ' ' LEU . 0.7 OUTLIER -96.8 -0.8 47.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.569 1.168 . . . . 0.0 110.993 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.93 -8.45 70.43 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.555 1.159 . . . . 0.0 111.004 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 76.4 mt -78.02 126.73 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.767 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 29.9 mmt85 -125.53 -174.06 2.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 110.265 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -63.49 142.63 58.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 61.34 54.56 3.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -116.62 172.3 7.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -122.9 117.65 26.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.9 t -104.33 155.26 5.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.45 160.51 26.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.996 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.55 ' CE1' HD22 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -109.07 124.25 50.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.973 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.1 tt -107.45 167.19 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 63' ' ' TYR . 10.8 tttt -116.55 141.0 48.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 96' ' ' LEU . 2.2 mttp -58.07 159.46 5.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 95' ' ' LYS . 1.7 tp 51.76 177.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -91.78 95.66 2.07 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.499 1.125 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -168.44 157.34 8.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 0.783 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.2 113.98 4.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.56 154.52 26.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.03 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -151.04 114.28 0.63 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.507 1.13 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -50.31 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.499 1.789 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.09 122.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.83 138.27 45.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.97 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 -179.942 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 p -147.33 -58.66 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 0.774 . . . . 0.0 110.004 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.54 105.22 2.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.0 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.94 -177.68 37.88 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.458 1.099 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.19 74.6 1.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.991 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.0 p -167.51 104.02 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.981 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.68 -150.45 19.02 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.74 169.88 22.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -122.58 100.29 6.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.39 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.408 ' N ' ' O ' ' A' ' 22' ' ' VAL . 91.4 t -91.63 138.85 18.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.481 ' HB3' ' CG2' ' A' ' 19' ' ' VAL . 12.7 mtp85 -101.81 148.61 25.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.42 HG21 ' CD1' ' A' ' 37' ' ' ILE . 94.2 t -126.39 80.28 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.5 t -69.77 86.1 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 108.303 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 16' ' ' ASP . 30.2 mtmt -44.34 167.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.482 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -66.05 68.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 111.018 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.482 ' CB ' ' O ' ' A' ' 15' ' ' MET . 9.7 t0 81.05 40.78 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -125.41 -145.79 6.58 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.533 1.146 . . . . 0.0 110.984 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -104.19 117.38 34.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 110.288 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.481 ' CG2' ' HB3' ' A' ' 11' ' ' ARG . 2.0 p -64.51 145.98 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.421 ' HB3' ' CE2' ' A' ' 40' ' ' TYR . 21.0 mtm -126.58 125.65 24.46 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 105.04 2.0 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 0.0 111.033 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.421 ' CG1' ' CB ' ' A' ' 36' ' ' ALA . 47.9 t -99.23 147.47 7.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.9 t -115.83 147.96 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.447 ' HB ' ' CB ' ' A' ' 28' ' ' ALA . 5.7 m -155.69 170.49 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.42 HG22 ' N ' ' A' ' 28' ' ' ALA . 34.0 m -63.82 155.26 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.04 -29.2 12.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -126.96 66.41 1.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.343 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.447 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -88.31 176.41 7.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 69.7 p -128.49 -173.81 3.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.443 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' A' ' 74' ' ' GLU . 70.7 t -64.27 -44.31 97.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.9 tp -55.04 -65.26 0.61 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.54 -56.13 2.66 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.466 ' CD1' HD12 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -39.76 -65.88 0.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.527 ' HG2' ' CE3' ' A' ' 60' ' ' TRP . 1.4 mptp? -44.52 -63.44 0.9 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.85 -60.7 1.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.108 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 39' ' ' ARG . . . -43.64 -65.75 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.466 HD12 ' CD1' ' A' ' 33' ' ' LEU . 71.1 mt -39.78 -37.46 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 109.284 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -77.07 -46.49 23.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.501 ' O ' ' CD2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -68.27 -7.56 31.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.256 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.421 ' CE2' ' HB3' ' A' ' 20' ' ' MET . 69.1 t80 -86.52 -37.99 17.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.4 t -93.89 -39.28 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.41 -67.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.501 ' CD2' ' O ' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -47.71 -40.23 19.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.73 -65.29 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.424 ' O ' ' N ' ' A' ' 49' ' ' GLY . 88.0 mt-30 -47.96 -57.99 5.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.09 -50.31 2.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -58.14 -52.99 63.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -64.68 -19.34 65.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 45' ' ' GLN . . . 106.82 -53.57 0.61 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -39.81 155.8 0.03 OUTLIER Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.431 ' CG1' ' O ' ' A' ' 51' ' ' VAL . 11.6 p -170.63 85.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -96.96 -179.68 4.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.78 122.8 29.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.128 . . . . 0.0 109.634 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 48.9 mt -125.21 149.62 29.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.4 p -120.3 83.12 2.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.958 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -74.86 -45.83 40.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 107.993 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 61' ' ' ARG . 2.0 m -40.14 -60.98 0.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.966 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -45.4 -53.53 8.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.9 t -50.88 -52.56 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.527 ' CE3' ' HG2' ' A' ' 34' ' ' LYS . 73.4 m95 -64.58 -26.09 68.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 107.99 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 57' ' ' SER . 0.0 OUTLIER -93.13 19.36 8.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.277 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.568 HG21 ' CD2' ' A' ' 63' ' ' TYR . 1.4 m -140.48 -48.96 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.568 ' CD2' HG21 ' A' ' 62' ' ' THR . 98.7 m-85 -110.05 172.21 7.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 53.7 m-70 -148.98 166.37 28.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.61 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.557 HD22 ' CZ ' ' A' ' 92' ' ' PHE . 13.5 mt -93.86 131.87 38.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.406 ' OG1' ' N ' ' A' ' 67' ' ' SER . 1.1 t -106.58 171.83 7.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 110.381 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.454 ' HB3' ' CD2' ' A' ' 72' ' ' LEU . 8.8 t 171.25 143.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.003 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 67' ' ' SER . . . 39.98 60.89 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 39.26 35.88 0.51 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.111 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 67' ' ' SER . 0.6 OUTLIER -139.75 151.08 45.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 0.747 . . . . 0.0 110.318 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.94 135.7 33.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.454 ' CD2' ' HB3' ' A' ' 67' ' ' SER . 13.9 mt -95.3 87.94 4.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.4 p -111.99 -52.32 2.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 110.356 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.493 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -48.31 128.44 14.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.56 -39.11 10.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.77 -25.12 68.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.44 1.088 . . . . 0.0 110.276 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -78.75 146.72 33.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -93.84 149.08 21.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 46.7 mt -56.4 -39.59 73.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -55.83 -42.62 75.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -61.87 -24.59 67.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -89.75 10.92 21.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.64 28.65 64.91 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.532 1.145 . . . . 0.0 110.959 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 10.7 mt -104.86 112.85 40.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 0.77 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -108.75 -174.44 2.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.256 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 87' ' ' ARG . 7.6 t30 -63.3 155.73 27.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.451 ' N ' ' OD1' ' A' ' 86' ' ' ASN . 15.0 mtt180 47.97 57.03 6.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.81 163.53 14.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -115.8 138.33 51.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.355 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.4 t -138.47 151.28 24.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.33 166.28 17.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.023 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.557 ' CZ ' HD22 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -100.19 140.75 33.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.992 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.7 tt -114.89 160.08 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -105.81 135.11 47.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.81 153.49 4.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.7 tt -65.74 88.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -90.79 -151.25 26.01 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.43 144.74 51.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 0.743 . . . . 0.0 110.292 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.42 126.96 53.14 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.122 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 32.2 p -101.45 -20.5 15.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.991 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -167.04 98.32 0.14 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.493 1.12 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -36.11 2.72 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.47 1.773 . . . . 0.0 110.977 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 24.9 p 60.91 166.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.014 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 89.6 p -169.36 115.18 0.57 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.006 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.999 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.47 124.13 17.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 110.004 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 t -131.11 -56.7 1.03 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.995 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.36 -145.56 14.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.5 t -111.32 76.65 0.99 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 0.772 . . . . 0.0 109.971 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.21 143.55 19.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.97 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.82 -165.11 18.06 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.435 ' SD ' ' CG2' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -142.26 -178.23 5.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 0.788 . . . . 0.0 111.043 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -128.46 100.08 5.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.41 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 92.7 t -96.89 116.37 38.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.459 ' HB3' ' CG2' ' A' ' 19' ' ' VAL . 26.4 mtt-85 -86.79 141.81 28.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 110.274 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.468 HG23 ' CD1' ' A' ' 37' ' ' ILE . 73.0 t -120.99 86.61 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 14' ' ' LYS . 4.3 m -69.38 83.36 0.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 108.296 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 13' ' ' CYS . 47.9 mtmt -39.43 143.3 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.42 ' SD ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -41.04 -36.09 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -156.14 41.82 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -130.36 -168.61 12.31 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -94.33 113.96 25.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 0.739 . . . . 0.0 110.271 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.459 ' CG2' ' HB3' ' A' ' 11' ' ' ARG . 0.2 OUTLIER -40.24 136.48 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.473 ' HB3' ' CE2' ' A' ' 40' ' ' TYR . 25.4 mtm -118.48 123.34 29.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 105.53 2.1 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.797 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.524 ' CG1' ' CB ' ' A' ' 36' ' ' ALA . 47.2 t -100.81 150.1 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 70.3 t -116.91 147.0 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.449 ' HB ' ' CB ' ' A' ' 28' ' ' ALA . 21.4 m -154.17 165.33 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.407 HG23 ' N ' ' A' ' 28' ' ' ALA . 20.5 m -58.44 155.64 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -55.48 -18.23 6.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.279 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -135.12 63.88 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.449 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -90.78 175.44 7.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.438 HG22 ' CG ' ' A' ' 78' ' ' LYS . 38.4 p -129.43 -176.82 4.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.387 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 74' ' ' GLU . 55.3 t -58.52 -42.18 83.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.1 tp -58.03 -64.94 0.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -40.27 -55.35 2.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.463 ' CD1' HD13 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -40.19 -58.04 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -51.97 -61.47 2.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.25 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -41.37 -52.93 3.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.524 ' CB ' ' CG1' ' A' ' 22' ' ' VAL . . . -53.49 -67.93 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.468 ' CD1' HG23 ' A' ' 12' ' ' VAL . 86.3 mt -39.62 -33.4 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.402 ' N ' ' C ' ' A' ' 36' ' ' ALA . 8.8 mt-30 -76.42 -56.57 4.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.265 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.83 -14.21 13.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.473 ' CE2' ' HB3' ' A' ' 20' ' ' MET . 93.5 t80 -77.12 -48.78 16.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.5 t -87.08 -48.3 15.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -46.74 -59.46 3.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.326 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.486 ' CD1' ' C ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -57.28 -39.99 76.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -51.14 -72.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 49' ' ' GLY . 90.3 mt-30 -44.78 -49.28 10.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -38.32 -47.48 1.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -70.77 -44.48 66.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -65.02 -15.64 62.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.282 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 45' ' ' GLN . . . 98.59 56.22 1.05 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.452 1.095 . . . . 0.0 111.032 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -126.01 172.16 17.83 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -102.53 145.86 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -70.34 61.96 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.288 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -155.68 105.8 2.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.552 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.0 mt -129.92 29.64 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.3 p 51.69 39.29 24.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.442 ' HB3' ' CD1' ' A' ' 60' ' ' TRP . 22.4 m95 -55.26 -34.2 63.84 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 61' ' ' ARG . 39.4 m -50.21 -56.85 9.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.967 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -57.39 -49.22 76.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.6 t -52.37 -64.14 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.442 ' CD1' ' HB3' ' A' ' 56' ' ' TRP . 64.9 m95 -57.36 -26.81 61.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 108.009 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.412 ' O ' ' CG ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -95.78 35.14 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.507 HG22 ' CE2' ' A' ' 63' ' ' TYR . 64.3 m -156.54 -45.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.426 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.559 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 95.0 m-85 -122.57 147.81 45.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -118.77 175.71 5.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.622 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.569 HD21 ' CE1' ' A' ' 92' ' ' PHE . 42.0 mt -99.52 132.35 44.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -122.6 169.72 10.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 69' ' ' GLY . 1.0 OUTLIER -178.03 132.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.002 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 69.43 -64.69 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 67' ' ' SER . . . 169.58 39.66 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -143.22 133.49 24.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 110.273 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 61.7 mttt -72.14 113.76 9.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.554 ' CD2' ' CD1' ' A' ' 82' ' ' TYR . 14.3 mt -78.12 87.98 4.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.7 p -114.78 -52.51 2.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.452 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.504 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -48.03 124.2 7.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.338 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.63 -42.28 11.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.15 -32.37 68.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -74.36 147.02 42.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.438 ' CG ' HG22 ' A' ' 29' ' ' THR . 0.0 OUTLIER -97.93 150.57 21.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.412 HD23 ' N ' ' A' ' 30' ' ' VAL . 19.7 mt -55.4 -37.64 67.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -59.12 -43.4 91.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.58 -11.93 61.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.554 ' CD1' ' CD2' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -90.84 -7.23 52.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.976 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 99.11 -5.88 59.53 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.517 1.135 . . . . 0.0 111.022 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.502 ' CG2' ' CG ' ' A' ' 88' ' ' ASP . 20.3 mt -81.55 148.99 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.417 ' N ' HG21 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -143.71 -175.36 4.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 110.319 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -57.31 130.39 46.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 18.8 mtm180 65.15 73.3 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.322 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.502 ' CG ' ' CG2' ' A' ' 84' ' ' ILE . 6.2 p-10 -120.94 -175.6 3.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -128.11 115.99 19.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.2 t -119.94 150.55 22.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.62 166.59 23.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.958 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.569 ' CE1' HD21 ' A' ' 65' ' ' LEU . 1.2 m-85 -100.51 127.28 46.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 3.2 tt -107.7 166.49 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.559 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 35.0 tttt -109.77 134.64 51.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -54.31 178.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.359 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.47 111.74 9.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 132.18 133.65 3.46 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -121.39 89.31 3.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 0.75 . . . . 0.0 110.301 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.5 tptt -58.69 -65.95 0.58 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.06 -61.57 1.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.973 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 138.08 -150.15 20.8 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 109.7 2.98 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.475 1.777 . . . . 0.0 111.028 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.19 148.09 37.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 53.6 p -143.61 147.52 34.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.011 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.454 1.096 . . . . 0.0 110.973 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.4 t -132.2 85.59 2.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 0.743 . . . . 0.0 109.994 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.9 p -170.29 123.68 0.7 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.973 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.84 -72.91 0.02 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.523 1.139 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.07 -54.54 5.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 109.993 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.91 167.84 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.992 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.32 -154.35 24.0 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.46 1.1 . . . . 0.0 110.972 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.456 ' SD ' ' CG2' ' A' ' 24' ' ' VAL . 0.6 OUTLIER -147.33 173.08 12.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 0.76 . . . . 0.0 110.972 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -124.5 98.15 5.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.444 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.419 ' N ' ' O ' ' A' ' 22' ' ' VAL . 89.1 t -92.2 122.65 43.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.465 ' HB3' ' CG2' ' A' ' 19' ' ' VAL . 5.3 mtt180 -86.87 145.73 26.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.405 ' CG2' HD11 ' A' ' 37' ' ' ILE . 70.9 t -118.97 79.08 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 14' ' ' LYS . 28.6 t -68.49 88.16 0.33 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 108.297 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 13' ' ' CYS . 3.8 mtmt -38.09 -89.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.56 -43.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -67.96 -31.81 71.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 143.63 -23.0 2.17 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.532 1.145 . . . . 0.0 110.948 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -65.76 110.1 2.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 0.741 . . . . 0.0 110.319 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.465 ' CG2' ' HB3' ' A' ' 11' ' ' ARG . 3.1 p -111.99 139.17 37.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.571 ' HE3' ' CE1' ' A' ' 40' ' ' TYR . 3.8 mtp -113.97 122.74 34.09 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 109.45 2.93 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.508 1.794 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.482 ' CG1' ' CB ' ' A' ' 36' ' ' ALA . 67.5 t -102.17 149.63 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.429 ' O ' ' CG1' ' A' ' 24' ' ' VAL . 54.1 t -114.3 143.4 24.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.456 ' CG2' ' SD ' ' A' ' 8' ' ' MET . 35.1 m -154.81 159.29 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.418 HG22 ' N ' ' A' ' 28' ' ' ALA . 25.7 m -48.49 156.66 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -17.2 13.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 54.9 m-20 -137.72 62.62 1.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.42 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -89.04 176.05 7.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.9 p -131.01 -176.09 3.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.432 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.416 ' CG2' ' O ' ' A' ' 74' ' ' GLU . 46.7 t -55.12 -47.29 77.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.1 tp -54.97 -62.38 1.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -40.46 -58.24 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.557 ' CD1' ' CD1' ' A' ' 37' ' ' ILE . 0.3 OUTLIER -40.76 -58.26 1.7 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.431 ' HG2' ' CZ3' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -54.62 -45.42 73.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -58.45 -37.47 75.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.482 ' CB ' ' CG1' ' A' ' 22' ' ' VAL . . . -67.57 -70.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.557 ' CD1' ' CD1' ' A' ' 33' ' ' LEU . 55.0 mt -39.97 -31.06 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.422 ' N ' ' C ' ' A' ' 36' ' ' ALA . 4.6 mt-30 -70.17 -56.69 6.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.446 ' O ' ' CD2' ' A' ' 43' ' ' LEU . 1.2 mpt_? -69.04 -6.57 28.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.571 ' CE1' ' HE3' ' A' ' 20' ' ' MET . 12.7 t80 -86.58 -38.52 17.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 91.8 t -94.28 -38.4 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -61.32 -67.7 0.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.336 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.501 ' CD1' ' C ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -42.68 -38.8 2.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.3 tttp -60.5 -71.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.599 ' OE1' ' CD2' ' A' ' 53' ' ' HIS . 51.9 mt-30 -44.07 -36.82 2.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.07 -54.7 22.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -81.76 -21.52 37.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.133 . . . . 0.0 110.264 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -90.98 20.46 4.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 110.301 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 154.09 -80.53 0.18 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.32 -49.5 0.85 Allowed Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.476 ' CG1' ' O ' ' A' ' 51' ' ' VAL . 0.5 OUTLIER -45.45 115.89 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.767 . . . . 0.0 109.251 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -51.26 135.97 25.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . 0.599 ' CD2' ' OE1' ' A' ' 45' ' ' GLN . 0.3 OUTLIER -172.83 50.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.568 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.2 mt -134.84 139.79 46.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 21.6 p -115.6 71.06 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.989 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 26.8 m95 -64.82 -35.79 82.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 108.011 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.456 ' O ' ' CB ' ' A' ' 61' ' ' ARG . 0.2 OUTLIER -47.09 -59.36 3.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.969 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -64.1 -49.28 72.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 110.967 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 54.9 t -46.89 -66.67 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.431 ' CZ3' ' HG2' ' A' ' 34' ' ' LYS . 44.7 m95 -57.39 -37.94 73.48 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.456 ' CB ' ' O ' ' A' ' 57' ' ' SER . 0.3 OUTLIER -88.48 43.64 1.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.264 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.537 HG23 ' CE2' ' A' ' 63' ' ' TYR . 23.2 m -157.52 -46.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 110.359 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.537 ' CE2' HG23 ' A' ' 62' ' ' THR . 96.7 m-85 -124.06 168.89 12.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -138.19 176.12 8.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.598 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.525 ' CD2' ' CE1' ' A' ' 92' ' ' PHE . 21.9 mt -101.7 134.28 45.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.246 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.13 168.61 15.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.396 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.522 ' O ' ' CB ' ' A' ' 68' ' ' ALA . 0.2 OUTLIER 176.3 126.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.025 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 67' ' ' SER . . . 85.21 -47.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.251 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 157.02 -23.56 0.47 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.78 160.7 22.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 0.759 . . . . 0.0 110.358 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -97.81 118.81 35.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.1 mt -74.88 85.64 2.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.4 p -116.21 -8.8 11.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.145 . . . . 0.0 110.399 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.416 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 1.5 mp0 -89.67 109.12 20.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.291 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -76.8 -27.52 55.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.5 mmt85 -81.88 -20.41 38.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.518 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 9.5 tttt -84.67 124.68 31.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -73.79 151.07 40.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.406 HD22 ' N ' ' A' ' 30' ' ' VAL . 17.2 mt -59.83 -39.27 84.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -59.77 -41.65 91.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -64.53 -18.15 64.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.518 ' CD2' ' HG2' ' A' ' 77' ' ' LYS . 0.8 OUTLIER -92.99 -1.18 56.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 91.29 8.35 64.51 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.545 1.153 . . . . 0.0 111.027 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.508 ' CG2' ' CG ' ' A' ' 88' ' ' ASP . 47.6 mt -93.15 111.41 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.76 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -102.4 -175.0 2.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.152 . . . . 0.0 110.273 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -66.1 144.65 56.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.77 32.71 6.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.345 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.508 ' CG ' ' CG2' ' A' ' 84' ' ' ILE . 4.7 p-10 -85.87 -173.45 4.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -137.65 120.12 15.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.8 t -115.8 149.98 17.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.27 168.99 13.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.017 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.525 ' CE1' ' CD2' ' A' ' 65' ' ' LEU . 0.4 OUTLIER -107.34 130.23 54.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.969 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.8 tt -107.09 163.24 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.488 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 7.0 tttt -110.77 131.13 55.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -53.21 -179.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -118.14 84.22 2.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.26 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 109.71 124.27 4.8 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 179.41 153.14 0.43 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 0.785 . . . . 0.0 110.357 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.42 134.57 49.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.82 166.86 10.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.02 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 128.98 79.09 0.23 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 152.19 40.35 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.5 1.789 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 92.2 p -97.14 87.44 4.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.117 . . . . 0.0 109.966 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 32.2 t 51.76 73.49 0.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.969 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.543 1.152 . . . . 0.0 110.975 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.46 167.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 0.0 109.998 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.0 t -59.9 118.01 5.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.63 179.14 34.36 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.39 95.25 1.02 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 0.746 . . . . 0.0 109.998 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.4 m -119.54 153.52 35.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.027 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.44 -139.2 10.45 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.86 -176.91 6.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 111.063 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -125.38 100.08 6.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.385 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.425 ' CG1' HD21 ' A' ' 33' ' ' LEU . 88.4 t -98.42 109.55 24.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.458 ' HB3' ' CG1' ' A' ' 19' ' ' VAL . 80.4 mtt180 -79.62 116.21 19.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.469 HG22 ' CD1' ' A' ' 37' ' ' ILE . 4.2 p -91.77 143.49 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.3 t -111.75 93.22 4.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 108.306 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -48.8 158.21 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -54.53 -46.64 73.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -145.99 47.02 1.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -132.92 -156.44 8.14 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.528 1.143 . . . . 0.0 110.958 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.74 164.03 11.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 0.753 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.458 ' CG1' ' HB3' ' A' ' 11' ' ' ARG . 55.1 t -66.95 136.14 27.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.3 mtp -123.92 122.32 26.31 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 107.66 2.54 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.501 1.79 . . . . 0.0 110.947 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.456 ' CG1' ' CB ' ' A' ' 36' ' ' ALA . 79.3 t -101.55 148.98 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 109.364 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.461 ' O ' ' CG1' ' A' ' 24' ' ' VAL . 13.1 p -115.56 147.42 18.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.473 ' HB ' ' CB ' ' A' ' 28' ' ' ALA . 16.0 m -157.61 166.18 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.422 HG23 ' N ' ' A' ' 28' ' ' ALA . 32.7 m -65.11 152.95 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.2 -27.44 8.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -124.6 59.21 1.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.473 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -85.58 175.87 8.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.8 p -131.08 178.89 6.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.377 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 73.9 t -53.89 -48.52 62.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.46 HD12 ' CB ' ' A' ' 75' ' ' ASP . 1.2 mt -54.08 -54.16 43.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.449 ' OD1' ' CG1' ' A' ' 24' ' ' VAL . 7.7 t70 -46.61 -54.36 9.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.463 ' CD1' HD12 ' A' ' 37' ' ' ILE . 0.4 OUTLIER -40.17 -53.15 2.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.558 ' HG2' ' CZ3' ' A' ' 60' ' ' TRP . 1.0 OUTLIER -63.29 -55.63 23.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.443 ' CE ' HD22 ' A' ' 31' ' ' LEU . 39.4 mttt -49.49 -27.1 3.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.456 ' CB ' ' CG1' ' A' ' 22' ' ' VAL . . . -78.74 -67.07 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.469 ' CD1' HG22 ' A' ' 12' ' ' VAL . 58.9 mt -40.64 -29.81 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.439 ' N ' ' C ' ' A' ' 36' ' ' ALA . 7.5 mt-30 -76.97 -49.3 15.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 36' ' ' ALA . 24.7 mmt180 -68.24 -6.72 25.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.428 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 5.1 t80 -85.64 -39.11 17.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.7 t -94.92 -43.3 12.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.8 -70.8 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 mt -52.19 -59.45 4.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 40' ' ' TYR . 82.7 tttt -40.52 -63.97 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -47.29 -51.32 19.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.587 1.179 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.96 -56.43 7.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.323 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -62.23 -21.25 65.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -103.51 17.34 24.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.598 1.186 . . . . 0.0 110.29 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 55.21 74.83 0.28 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -149.09 108.8 0.42 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.3 p -72.37 126.94 33.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 109.328 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -47.54 136.86 9.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.481 1.113 . . . . 0.0 110.273 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -147.37 29.5 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.644 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 64.4 mt -122.04 133.06 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.34 69.37 5.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.042 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -48.0 -37.95 15.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 107.998 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -42.87 -61.58 1.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.996 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.548 ' CE1' ' OG1' ' A' ' 62' ' ' THR . 27.8 t80 -62.73 -42.52 99.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 111.038 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 54.4 t -47.35 -53.62 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.558 ' CZ3' ' HG2' ' A' ' 34' ' ' LYS . 29.1 m95 -68.88 -27.14 65.53 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.57 26.64 2.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.345 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.548 ' OG1' ' CE1' ' A' ' 58' ' ' TYR . 1.2 m -150.65 -47.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.438 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.506 ' CD2' HG22 ' A' ' 62' ' ' THR . 97.1 m-85 -113.2 160.29 18.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.949 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -126.73 177.43 6.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.606 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 31.4 mt -108.4 117.14 33.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -115.43 162.97 16.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.39 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.6 t -133.5 -61.74 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.008 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -162.26 73.51 0.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.76 -36.07 3.52 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.512 1.133 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -80.74 117.03 21.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.763 . . . . 0.0 110.238 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.8 mttt -82.57 115.78 21.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.7 mt -76.98 92.0 3.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 76.0 p -120.08 -58.54 1.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.87 121.65 4.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.337 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.46 ' CB ' HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -91.62 -38.85 12.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -63.1 -12.22 25.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.26 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -97.06 138.61 34.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.098 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -81.45 154.04 26.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.6 mt -63.74 -41.45 98.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -59.31 -24.15 63.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.262 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.58 -8.57 59.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -106.59 -1.4 22.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 98.72 -11.74 62.77 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 73.1 mt -76.57 124.17 34.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 85' ' ' ARG . 5.6 mmm180 -124.47 -175.49 3.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.324 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -59.37 144.88 45.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.98 57.23 1.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -118.73 172.36 7.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -132.81 110.63 10.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.9 t -103.24 149.09 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -120.45 168.68 11.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.012 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -101.2 163.05 12.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.105 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 7.6 tt -143.42 155.77 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.7 tttt -107.69 136.22 47.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -62.11 -177.0 0.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -97.2 88.13 4.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -140.01 -152.84 5.91 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.505 1.128 . . . . 0.0 110.961 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 100' ' ' SER . 1.6 tt0 -142.08 85.25 1.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 0.773 . . . . 0.0 110.306 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.6 mmtp 69.4 -68.55 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.258 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 98' ' ' GLN . 0.4 OUTLIER 64.4 116.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.97 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 71.13 97.35 0.06 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.524 1.14 . . . . 0.0 110.973 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 88.27 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 22.8 t -167.89 -58.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.966 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 13.0 p -165.13 -175.36 3.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.05 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 179.97 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.02 -57.82 1.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 0.765 . . . . 0.0 110.011 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -47.51 109.42 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.1 -172.03 26.04 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.118 . . . . 0.0 111.034 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.6 p -171.04 91.42 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 0.771 . . . . 0.0 110.066 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.13 77.64 1.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 110.017 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.06 -144.67 10.29 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -147.97 170.68 17.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 111.027 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -120.81 95.5 4.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.396 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 22' ' ' VAL . 91.1 t -87.31 112.6 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.465 ' HB3' ' CG2' ' A' ' 19' ' ' VAL . 41.1 mtt180 -84.18 134.05 34.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.351 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.423 ' CG2' HD11 ' A' ' 37' ' ' ILE . 61.8 t -117.49 91.28 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 14' ' ' LYS . 3.5 m -74.35 84.77 1.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 108.268 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 13' ' ' CYS . 35.1 mtmt -38.55 152.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -30.56 20.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -69.93 -51.74 30.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 157.66 -54.63 0.39 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -42.49 119.01 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 0.753 . . . . 0.0 110.282 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.465 ' CG2' ' HB3' ' A' ' 11' ' ' ARG . 1.0 OUTLIER -101.14 134.86 39.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.558 1.161 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.442 ' HB3' ' CZ ' ' A' ' 40' ' ' TYR . 1.2 mtp -113.28 123.05 34.14 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 107.26 2.44 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.498 1.788 . . . . 0.0 110.955 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.505 ' CG1' ' CB ' ' A' ' 36' ' ' ALA . 45.7 t -103.34 146.88 10.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.3 t -117.2 142.13 32.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.463 ' HB ' ' CB ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -145.9 -176.18 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.431 HG21 ' N ' ' A' ' 28' ' ' ALA . 34.1 m -81.64 146.1 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -44.8 -27.92 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -122.82 60.81 1.02 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.463 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -92.93 170.49 9.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.409 HG23 ' CG ' ' A' ' 78' ' ' LYS . 29.4 p -130.91 -176.27 3.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.412 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 74' ' ' GLU . 48.2 t -57.01 -41.75 77.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 tp -54.52 -68.34 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.6 OUTLIER -42.87 -47.84 5.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.53 ' CD1' ' CD1' ' A' ' 37' ' ' ILE . 0.6 OUTLIER -38.76 -70.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.562 ' HG2' ' CE3' ' A' ' 60' ' ' TRP . 0.8 OUTLIER -49.45 -56.38 9.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -42.2 -42.93 3.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.505 ' CB ' ' CG1' ' A' ' 22' ' ' VAL . . . -67.36 -67.63 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.53 ' CD1' ' CD1' ' A' ' 33' ' ' LEU . 96.8 mt -39.81 -30.76 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.437 ' N ' ' C ' ' A' ' 36' ' ' ALA . 9.2 mt-30 -76.1 -49.68 16.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.486 ' O ' ' CD2' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -67.67 -8.1 32.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.332 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.473 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 2.8 t80 -85.17 -39.19 18.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.9 t -93.49 -41.6 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.38 -68.86 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.486 ' CD2' ' O ' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -43.47 -41.13 4.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -60.9 -70.76 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.25 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 48' ' ' GLU . 74.6 mt-30 -44.45 -52.54 7.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.91 -55.18 7.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.325 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -57.41 -24.11 53.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.312 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 45' ' ' GLN . 16.0 mt-10 -97.68 17.49 17.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.87 -57.25 0.55 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 126.6 142.22 5.61 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -84.84 177.32 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 0.773 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -54.97 -77.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -162.02 141.21 9.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.575 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 88.1 mt -115.69 143.49 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.1 61.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.491 ' HB3' ' CD1' ' A' ' 60' ' ' TRP . 24.5 m95 -52.65 -46.79 67.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 107.996 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.06 -60.23 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.938 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -62.46 -52.33 63.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 47.8 t -47.63 -49.24 10.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.562 ' CE3' ' HG2' ' A' ' 34' ' ' LYS . 41.9 m95 -68.12 -31.94 71.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 107.986 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.59 39.95 0.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.34 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 83.8 m -155.2 -48.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.417 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.475 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 80.1 m-85 -116.9 153.7 32.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.406 ' NE2' ' HD2' ' A' ' 95' ' ' LYS . 96.4 m-70 -129.89 170.23 14.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.603 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.478 ' HG ' ' CD1' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -89.25 113.32 24.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.323 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.461 ' CG2' ' O ' ' A' ' 91' ' ' SER . 0.0 OUTLIER -105.81 161.97 13.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 110.399 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.7 t -158.09 -76.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.006 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.69 31.14 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.98 -27.61 7.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.09 116.59 18.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 0.756 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -66.74 112.35 4.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.53 HD21 ' CD1' ' A' ' 82' ' ' TYR . 4.8 mt -72.24 98.76 2.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.9 p -122.05 -42.74 2.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.41 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.491 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 2.2 mm-40 -54.32 116.93 2.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -78.61 -24.7 45.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.4 mmt85 -79.17 -28.54 42.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.465 ' HG2' ' CE2' ' A' ' 82' ' ' TYR . 22.6 tttt -81.78 120.82 25.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.409 ' CG ' HG23 ' A' ' 29' ' ' THR . 4.0 mttt -69.32 155.94 39.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 83.0 mt -63.0 -33.24 74.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.44 -32.81 73.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.44 1.087 . . . . 0.0 110.309 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -65.96 -24.41 66.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.53 ' CD1' HD21 ' A' ' 72' ' ' LEU . 9.2 m-85 -88.68 -7.02 57.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.21 23.72 21.38 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 12.4 mt -100.52 116.9 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.764 . . . . 0.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 51.7 mmt-85 -113.84 -175.37 2.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.404 ' OD1' ' C ' ' A' ' 86' ' ' ASN . 4.6 t-20 -60.46 138.37 58.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 109.305 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.6 mtt85 63.95 62.03 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -110.77 174.87 5.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -123.04 108.93 13.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.318 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 11' ' ' ARG . 5.7 t -114.07 157.84 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.461 ' O ' ' CG2' ' A' ' 66' ' ' THR . 0.6 OUTLIER -146.61 164.92 31.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.004 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -96.91 119.94 36.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 20.3 tt -106.48 159.16 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.475 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 7.4 tttt -101.47 128.45 47.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.406 ' HD2' ' NE2' ' A' ' 64' ' ' HIS . 43.8 mtpt -50.71 160.58 0.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.48 90.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 95' ' ' LYS . . . -119.9 -142.63 6.72 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.514 1.134 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.87 -62.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.754 . . . . 0.0 110.306 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -112.93 135.98 53.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -176.95 149.65 0.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -174.16 97.74 0.12 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.444 1.09 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 130.92 13.75 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.519 1.8 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 12.7 t -65.49 140.48 58.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.96 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.8 t -158.39 153.39 25.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.982 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.937 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m -155.06 169.28 24.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 0.77 . . . . 0.0 110.013 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 p -164.39 172.71 13.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.972 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.78 -129.07 2.56 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.512 1.132 . . . . 0.0 110.968 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.42 89.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 0.803 . . . . 0.0 110.02 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.9 t 69.32 141.45 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.038 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.417 ' CA ' ' O ' ' A' ' 24' ' ' VAL . . . 111.93 -160.63 13.09 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.536 1.148 . . . . 0.0 110.963 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.08 175.53 10.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 111.027 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -120.26 95.55 4.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.404 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 64.9 t -86.91 119.35 34.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.3 mtt-85 -92.13 108.77 20.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.553 HG12 ' CD1' ' A' ' 92' ' ' PHE . 41.1 t -74.16 136.6 24.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.471 ' CB ' ' HA ' ' A' ' 91' ' ' SER . 0.1 OUTLIER -106.4 79.75 1.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 108.305 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.7 mtmt -50.41 177.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.1 ptp -69.45 63.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 111.036 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.6 t0 73.5 27.36 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.339 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -103.21 -145.66 15.67 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.469 1.106 . . . . 0.0 111.039 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -97.91 131.24 44.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.75 . . . . 0.0 110.342 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 20' ' ' MET . 78.9 t -68.23 145.7 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.412 ' N ' HG13 ' A' ' 19' ' ' VAL . 4.3 mtp -122.86 122.33 27.12 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 108.4 2.71 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.472 1.775 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.469 ' CG1' ' HB1' ' A' ' 36' ' ' ALA . 60.1 t -103.77 146.19 11.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.1 t -114.1 139.88 37.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.417 ' O ' ' CA ' ' A' ' 7' ' ' GLY . 3.1 m -149.41 176.66 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.431 HG23 ' N ' ' A' ' 28' ' ' ALA . 31.5 m -79.3 144.68 10.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -43.27 -26.57 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.302 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.426 ' N ' ' C ' ' A' ' 25' ' ' VAL . 6.5 p30 -128.12 65.29 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.431 ' N ' HG23 ' A' ' 25' ' ' VAL . . . -92.34 177.26 6.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 72.7 p -131.15 -175.86 3.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.402 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 74' ' ' GLU . 98.7 t -58.18 -40.96 79.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 tp -56.73 -64.92 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -41.8 -52.88 3.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.558 ' CD1' ' CD1' ' A' ' 37' ' ' ILE . 0.6 OUTLIER -38.16 -71.66 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.558 ' HG2' ' CE3' ' A' ' 60' ' ' TRP . 0.3 OUTLIER -50.46 -53.97 25.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -43.56 -50.01 7.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.469 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -60.49 -68.44 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.558 ' CD1' ' CD1' ' A' ' 33' ' ' LEU . 95.9 mt -39.05 -32.62 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.415 ' N ' ' C ' ' A' ' 36' ' ' ALA . 4.3 mt-30 -77.05 -50.04 13.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 110.288 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 36' ' ' ALA . 1.3 tpm_? -67.58 -6.71 21.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.427 ' O ' ' CB ' ' A' ' 44' ' ' LYS . 6.9 t80 -86.73 -38.96 16.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.1 t -94.85 -41.34 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -70.89 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mt -51.93 -59.27 4.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 40' ' ' TYR . 53.6 tttt -41.48 -65.29 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 49' ' ' GLY . 80.4 mt-30 -47.54 -47.82 27.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.67 -49.66 14.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.262 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -69.8 -31.81 69.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 49' ' ' GLY . 12.6 mt-10 -95.03 20.38 9.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 45' ' ' GLN . . . 37.72 84.42 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.123 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -91.98 -173.48 42.34 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.5 m -58.81 -168.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -59.61 -68.58 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.273 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -163.78 170.54 16.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.64 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.41 HG21 ' N ' ' A' ' 55' ' ' SER . 3.5 mt -122.12 143.89 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.41 ' N ' HG21 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -81.6 71.81 8.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.982 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 54.6 m95 -60.53 -34.5 74.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 108.019 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.26 -58.52 5.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.968 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.485 ' HH ' ' N ' ' A' ' 101' ' ' GLY . 1.6 t80 -60.39 -35.59 76.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 79.1 t -62.06 -64.65 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.558 ' CE3' ' HG2' ' A' ' 34' ' ' LYS . 48.9 m95 -58.1 -24.31 58.16 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.568 1.167 . . . . 0.0 108.021 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -91.21 32.44 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.505 HG22 ' CE2' ' A' ' 63' ' ' TYR . 53.5 m -151.87 -45.52 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.408 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.505 ' CE2' HG22 ' A' ' 62' ' ' THR . 94.3 m-85 -116.43 167.9 10.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -147.1 166.16 27.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.581 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.419 ' HG ' ' CD1' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -88.63 118.16 28.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -116.14 165.06 13.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.429 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.5 t -143.59 -71.11 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.973 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.24 56.59 1.84 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.26 -34.02 3.92 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.547 1.154 . . . . 0.0 110.977 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.481 ' HB3' ' CD1' ' A' ' 82' ' ' TYR . 1.2 mt-10 -67.18 99.52 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -69.81 110.5 4.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.453 HD21 ' CD1' ' A' ' 84' ' ' ILE . 11.3 mt -66.88 87.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 79.1 p -118.11 -38.45 3.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.428 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.48 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.7 OUTLIER -62.81 114.43 3.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.341 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -77.34 -32.16 54.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -73.81 -26.67 60.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.469 ' HG2' ' CE2' ' A' ' 82' ' ' TYR . 11.9 tttt -80.06 137.85 36.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.49 152.75 23.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 25.1 mt -66.18 -33.23 75.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -63.38 -38.45 91.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.37 -20.85 66.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.481 ' CD1' ' HB3' ' A' ' 70' ' ' GLU . 5.9 m-85 -91.07 11.1 24.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 77.07 19.88 76.6 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.453 ' CD1' HD21 ' A' ' 72' ' ' LEU . 21.0 mt -99.84 104.25 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 0.76 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -100.91 -174.41 2.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -66.16 154.93 38.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.51 40.88 31.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.364 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -102.3 158.56 16.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -113.55 112.14 23.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' A' ' 13' ' ' CYS . 25.4 t -97.76 147.72 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.471 ' HA ' ' CB ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -110.49 168.52 9.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.994 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.553 ' CD1' HG12 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -113.81 132.85 55.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 12.5 tt -124.14 152.85 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.496 ' HB2' ' CE1' ' A' ' 63' ' ' TYR . 4.2 ttmt -105.05 133.86 49.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.332 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -48.45 173.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.72 96.83 9.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 139.53 142.53 4.25 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.516 1.135 . . . . 0.0 111.047 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.79 166.97 16.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 110.345 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.4 -62.26 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.9 t 63.8 108.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 110.004 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.485 ' N ' ' HH ' ' A' ' 58' ' ' TYR . . . -141.77 100.83 0.27 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.485 1.116 . . . . 0.0 110.959 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 175.2 11.55 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.506 1.793 . . . . 0.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.16 112.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.978 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.1 t -83.25 -59.12 2.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.993 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.451 1.095 . . . . 0.0 110.981 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.5 m -74.23 101.81 4.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 0.77 . . . . 0.0 110.003 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.5 m -105.88 -56.15 2.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 0.0 109.959 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.9 -151.37 5.42 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.453 1.096 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.2 p -145.08 131.62 19.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.761 . . . . 0.0 110.009 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.5 t -160.1 152.69 21.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.973 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.1 -163.63 12.35 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.0 175.81 9.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -121.01 104.41 9.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.432 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.413 ' CG1' HD22 ' A' ' 33' ' ' LEU . 87.1 t -99.96 109.94 25.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.457 ' HB3' ' CG2' ' A' ' 19' ' ' VAL . 4.3 mtt180 -78.91 137.9 37.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.342 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.448 ' CG2' HD13 ' A' ' 37' ' ' ILE . 53.2 t -120.16 88.94 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 14' ' ' LYS . 8.8 t -70.89 83.33 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 108.291 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 13' ' ' CYS . 56.7 mtmt -39.49 146.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.479 ' SD ' ' CZ ' ' A' ' 63' ' ' TYR . 2.6 ptp -44.51 -52.68 7.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 111.055 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -138.58 55.36 1.74 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.32 -167.98 14.47 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -94.55 121.21 35.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 0.76 . . . . 0.0 110.324 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.457 ' CG2' ' HB3' ' A' ' 11' ' ' ARG . 1.5 p -40.81 149.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.5 mtp -130.96 122.74 19.53 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 110.944 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 106.6 2.31 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.526 1.803 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.461 ' CG1' ' HB3' ' A' ' 36' ' ' ALA . 56.9 t -102.43 148.43 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.1 p -114.13 145.55 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.468 ' HB ' ' CB ' ' A' ' 28' ' ' ALA . 15.7 m -154.51 167.05 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.411 HG22 ' N ' ' A' ' 28' ' ' ALA . 17.0 m -61.28 154.73 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -53.67 -19.64 4.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 36.5 p30 -135.3 66.05 1.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.468 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -95.43 166.97 11.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.8 p -113.93 -174.0 2.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.422 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 74' ' ' GLU . 88.7 t -60.48 -64.65 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.42 ' HB2' ' HB3' ' A' ' 75' ' ' ASP . 19.3 tp -40.86 -58.25 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 31' ' ' LEU . 0.8 OUTLIER -39.51 -59.9 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.337 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.497 ' CD1' ' CD1' ' A' ' 37' ' ' ILE . 0.3 OUTLIER -45.29 -48.76 12.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.558 ' HG2' ' CZ3' ' A' ' 60' ' ' TRP . 25.9 mtmt -59.68 -44.95 93.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.5 mttt -57.5 -50.79 71.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.461 ' HB3' ' CG1' ' A' ' 22' ' ' VAL . . . -56.37 -62.34 1.79 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.497 ' CD1' ' CD1' ' A' ' 33' ' ' LEU . 61.9 mt -39.82 -33.2 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -76.97 -54.03 7.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.507 ' O ' ' CD2' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -63.51 -11.4 23.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.323 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -82.23 -40.29 21.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 111.028 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 72.8 t -94.34 -44.79 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.238 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.04 -62.39 1.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.507 ' CD2' ' O ' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -53.84 -42.16 68.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.41 ' N ' ' HG ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -50.89 -68.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.35 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 49' ' ' GLY . 18.4 mt-30 -53.05 -49.79 65.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.67 -52.51 2.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.75 -46.81 67.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.289 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -73.11 -23.14 60.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 45' ' ' GLN . . . 154.61 -72.05 0.27 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.519 1.137 . . . . 0.0 111.057 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.1 155.25 8.13 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -105.98 179.54 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.543 0.79 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -71.34 59.19 0.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.282 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 54.16 103.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.585 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.487 HG21 ' CD1' ' A' ' 56' ' ' TRP . 93.5 mt -60.35 128.83 22.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.07 72.25 1.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.992 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.495 ' HB3' ' CD1' ' A' ' 60' ' ' TRP . 65.4 m95 -74.78 -40.72 61.0 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.021 -1.104 . . . . 0.0 108.021 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.25 -58.75 1.72 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.951 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -56.34 -57.13 13.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 71.2 t -45.78 -57.18 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.558 ' CZ3' ' HG2' ' A' ' 34' ' ' LYS . 47.7 m95 -59.46 -34.46 72.57 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.21 38.5 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.6 m -155.07 -50.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 110.414 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.479 ' CZ ' ' SD ' ' A' ' 15' ' ' MET . 92.8 m-85 -114.66 148.71 37.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -120.89 168.66 11.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.558 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.552 HD22 ' CE1' ' A' ' 92' ' ' PHE . 13.7 mt -93.1 128.73 39.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.1 t -106.43 170.04 8.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.354 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.8 t 170.39 143.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 110.03 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 46.8 32.94 1.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 58.18 34.79 74.81 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -135.75 118.88 16.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.752 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt -58.02 128.43 37.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.567 ' CD2' ' CD1' ' A' ' 82' ' ' TYR . 13.0 mt -97.99 81.3 2.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.3 p -95.99 -47.71 6.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.436 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.491 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.6 OUTLIER -52.4 135.25 33.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.346 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.42 ' HB3' ' HB2' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -98.8 -42.97 6.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.35 -19.84 65.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.255 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.453 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 1.0 OUTLIER -76.91 127.22 32.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.13 147.84 40.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 32.8 mt -58.54 -34.57 71.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 22.4 ttt-85 -62.64 -37.42 86.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.309 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.16 -12.71 61.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.567 ' CD1' ' CD2' ' A' ' 72' ' ' LEU . 1.2 m-85 -97.05 9.36 42.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 81.55 11.78 82.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 34.3 mt -88.42 152.97 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 109.329 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.449 ' NH1' ' CG ' ' A' ' 88' ' ' ASP . 0.0 OUTLIER -148.05 -175.47 4.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -63.71 132.0 49.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 68.46 73.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 0.0 110.313 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . 0.449 ' CG ' ' NH1' ' A' ' 85' ' ' ARG . 43.5 t0 -123.86 174.49 7.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -121.88 112.44 18.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.424 ' CG1' ' N ' ' A' ' 91' ' ' SER . 4.1 t -115.64 158.86 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.424 ' N ' ' CG1' ' A' ' 90' ' ' VAL . 0.3 OUTLIER -148.58 166.94 26.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.552 ' CE1' HD22 ' A' ' 65' ' ' LEU . 2.7 m-85 -97.06 140.64 31.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 9.1 tt -127.89 155.63 39.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -99.9 144.0 29.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -53.03 -175.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.0 tt -114.61 106.35 14.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 99' ' ' LYS . . . 147.58 -108.98 0.45 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -45.79 96.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 0.785 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 97' ' ' GLY . 0.8 OUTLIER -119.97 105.44 11.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 35.2 t -174.93 111.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.021 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -109.97 120.75 5.78 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.486 1.116 . . . . 0.0 111.04 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 78.03 2.98 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.462 1.77 . . . . 0.0 111.038 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 35.1 t 61.82 152.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.967 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.18 -57.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 110.0 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.539 1.149 . . . . 0.0 111.021 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.2 p -148.88 93.39 2.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 0.761 . . . . 0.0 110.002 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.6 90.27 3.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.995 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.28 -175.06 0.17 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.125 . . . . 0.0 111.015 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.17 152.02 21.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 0.779 . . . . 0.0 109.974 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 55.62 166.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.983 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.62 -174.64 47.16 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.46 ' CG ' HG22 ' A' ' 24' ' ' VAL . 2.1 ptm -158.74 154.34 26.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 0.773 . . . . 0.0 110.97 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.4 m -100.77 107.36 18.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.411 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.423 ' CG1' HD23 ' A' ' 33' ' ' LEU . 82.2 t -105.96 127.08 61.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.465 ' HG2' ' CG1' ' A' ' 19' ' ' VAL . 11.3 mtt-85 -90.34 149.29 22.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.422 ' CG2' HD11 ' A' ' 37' ' ' ILE . 90.2 t -130.71 126.56 60.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 15.9 t -90.5 85.77 6.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 108.268 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 16' ' ' ASP . 19.6 mtmt -50.7 168.68 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.356 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.78 64.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 14' ' ' LYS . 26.2 t0 -176.28 -53.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 151.09 -25.68 1.0 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.502 1.126 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -50.35 145.11 6.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 0.747 . . . . 0.0 110.312 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.465 ' CG1' ' HG2' ' A' ' 11' ' ' ARG . 98.0 t -114.3 130.28 68.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 7.3 mtp -117.61 122.38 30.88 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 108.33 2.69 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.495 1.787 . . . . 0.0 111.023 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.45 ' CG2' HG12 ' A' ' 37' ' ' ILE . 90.0 t -102.86 151.82 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.5 t -115.51 136.88 50.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.467 ' HB ' ' CB ' ' A' ' 28' ' ' ALA . 19.7 m -149.32 163.1 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.454 HG22 ' CA ' ' A' ' 28' ' ' ALA . 23.7 m -62.72 149.79 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -49.44 -22.56 1.21 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.142 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -132.31 60.54 1.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.467 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -84.67 178.35 7.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.9 p -129.23 -175.92 3.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.435 ' CG2' ' O ' ' A' ' 74' ' ' GLU . 69.1 t -57.44 -56.82 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.36 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.4 tp -50.66 -55.52 16.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -42.61 -58.97 2.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.5 ' CD1' ' CD1' ' A' ' 37' ' ' ILE . 0.3 OUTLIER -40.24 -50.23 2.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.55 ' HG2' ' CZ3' ' A' ' 60' ' ' TRP . 1.5 mttp -59.82 -56.83 16.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -44.98 -48.5 11.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 39' ' ' ARG . . . -59.02 -67.13 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.248 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.5 ' CD1' ' CD1' ' A' ' 33' ' ' LEU . 78.5 mt -40.52 -30.16 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.422 ' N ' ' C ' ' A' ' 36' ' ' ALA . 3.0 mt-30 -74.64 -49.97 19.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.28 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.489 ' O ' ' CD2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -64.84 -10.55 29.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 0.0 110.312 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.415 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 5.4 t80 -85.98 -39.64 16.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.444 ' O ' ' NE2' ' A' ' 45' ' ' GLN . 55.8 t -91.11 -37.67 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.5 tm0? -63.63 -69.47 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.502 ' CD1' ' C ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -41.7 -38.89 1.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.21 -72.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.449 ' N ' ' CD ' ' A' ' 45' ' ' GLN . 1.3 mp0 -47.19 -37.96 11.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.266 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.65 -47.5 70.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -74.74 -12.6 60.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 110.33 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -102.31 -2.33 29.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.44 -61.49 0.36 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.517 1.136 . . . . 0.0 111.027 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 156.9 149.63 5.45 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -100.98 -175.98 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 0.75 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -53.19 -68.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 22.4 p-80 -176.25 129.82 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.625 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 50.6 mt -111.48 125.59 68.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.353 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.22 63.7 1.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.995 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 15.2 m95 -54.63 -45.08 73.69 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.2 m -40.29 -61.16 0.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.951 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -60.96 -50.9 71.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 45.7 t -43.61 -62.03 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.55 ' CZ3' ' HG2' ' A' ' 34' ' ' LYS . 52.8 m95 -62.88 -36.38 83.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.045 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.74 45.98 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.549 HG21 ' CD2' ' A' ' 63' ' ' TYR . 3.5 m -162.64 -51.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.41 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.551 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 98.2 m-85 -114.88 145.18 42.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -114.41 179.21 4.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.576 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.461 HD21 ' CD1' ' A' ' 92' ' ' PHE . 67.5 mt -103.64 131.71 50.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.59 163.47 14.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 110.36 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 70' ' ' GLU . 6.6 t 177.19 145.39 0.1 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.132 . . . . 0.0 109.981 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 48.76 28.36 1.85 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 65.59 31.37 79.86 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 67' ' ' SER . 0.9 OUTLIER -128.44 141.26 51.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 0.754 . . . . 0.0 110.311 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -80.38 116.41 20.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.429 HD23 ' CE1' ' A' ' 82' ' ' TYR . 12.4 mt -81.85 86.36 6.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.7 p -107.54 -62.93 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.386 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.435 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -43.58 128.77 5.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.46 -42.15 8.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -61.5 -18.25 58.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 42.5 tttt -86.04 133.78 33.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.9 mttp -82.22 150.82 27.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 31.0 mt -57.84 -36.45 72.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.92 -48.71 80.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -63.38 -14.76 53.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.429 ' CE1' HD23 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -90.4 -8.67 50.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 110.986 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 97.17 -1.02 60.52 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.528 1.143 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.427 HG22 ' N ' ' A' ' 85' ' ' ARG . 71.7 mt -81.89 160.99 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 0.739 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.427 ' N ' HG22 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -153.92 -174.93 5.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.287 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -72.86 137.5 45.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 76.51 38.76 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -101.99 -176.49 3.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -132.13 123.24 26.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.312 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' A' ' 91' ' ' SER . 2.6 t -117.79 160.24 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.436 ' N ' ' CG1' ' A' ' 90' ' ' VAL . 0.9 OUTLIER -138.59 166.17 25.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 109.998 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.461 ' CD1' HD21 ' A' ' 65' ' ' LEU . 1.8 m-85 -106.06 123.22 47.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.1 tt -105.73 168.45 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 0.0 109.322 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.551 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 11.4 tttt -115.38 140.02 49.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -62.57 -179.31 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.54 112.35 20.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 158.69 -114.22 0.6 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -39.07 151.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 0.766 . . . . 0.0 110.276 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -147.67 155.62 41.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 68.3 142.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.992 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -142.39 157.58 26.64 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.472 1.108 . . . . 0.0 110.98 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -45.43 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.454 1.765 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.3 m 71.16 -59.85 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.01 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.15 -60.56 1.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.006 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.457 1.098 . . . . 0.0 110.96 179.95 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.32 164.37 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 0.743 . . . . 0.0 109.977 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.21 144.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 110.007 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.06 175.88 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.9 p -99.59 88.48 3.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.764 . . . . 0.0 110.016 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.1 m -131.46 124.69 30.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 110.011 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.32 -162.4 24.56 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.585 1.178 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -147.07 159.72 43.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 0.772 . . . . 0.0 110.973 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -111.58 98.1 7.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.377 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 77.5 t -88.73 115.77 29.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 75.7 mtt180 -84.47 128.51 34.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.465 HG23 ' CD1' ' A' ' 37' ' ' ILE . 2.9 t -97.77 125.18 51.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.239 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 14' ' ' LYS . 4.2 t -84.19 81.85 8.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 108.353 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -39.85 -80.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.418 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -170.6 48.51 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.977 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.418 ' CB ' ' O ' ' A' ' 15' ' ' MET . 0.7 OUTLIER 76.26 15.42 2.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -105.67 -106.16 3.09 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.482 1.114 . . . . 0.0 110.947 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -115.0 127.23 55.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.764 . . . . 0.0 110.279 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 37.6 t -84.61 146.68 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 10.3 mtp -113.87 121.96 35.84 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 106.63 2.31 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.472 1.775 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.413 ' CG1' ' CB ' ' A' ' 36' ' ' ALA . 90.2 t -99.78 149.99 5.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.6 p -119.36 146.78 23.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.411 ' HB ' ' CB ' ' A' ' 28' ' ' ALA . 10.1 m -155.37 168.35 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.23 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.413 HG21 ' N ' ' A' ' 28' ' ' ALA . 16.1 m -68.49 144.4 14.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.377 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -43.84 -26.36 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -128.33 64.66 1.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.413 ' N ' HG21 ' A' ' 25' ' ' VAL . . . -91.38 177.19 6.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 43.5 p -130.88 -177.6 4.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.392 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.415 ' N ' HD23 ' A' ' 79' ' ' LEU . 46.9 t -57.69 -44.05 84.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.5 tp -56.95 -57.43 12.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 33' ' ' LEU . 5.8 t70 -46.17 -57.7 4.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.412 ' CD1' ' CD1' ' A' ' 37' ' ' ILE . 0.4 OUTLIER -39.72 -66.33 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.558 ' HG2' ' CE3' ' A' ' 60' ' ' TRP . 0.4 OUTLIER -43.14 -59.2 2.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.36 -48.91 46.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 39' ' ' ARG . . . -50.16 -70.35 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.465 ' CD1' HG23 ' A' ' 12' ' ' VAL . 72.6 mt -41.69 -31.39 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.52 ' OE1' ' CG ' ' A' ' 56' ' ' TRP . 2.4 mt-30 -76.53 -46.86 24.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.48 ' O ' ' CD2' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -66.8 -8.58 29.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.419 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 5.7 t80 -87.46 -37.18 17.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.955 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 50.4 t -93.65 -36.29 7.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -65.14 -69.58 0.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.49 ' CD1' ' C ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -43.39 -42.5 4.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.5 ttpp -53.4 -62.91 1.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 49' ' ' GLY . 76.9 mt-30 -51.88 -53.2 43.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.29 -58.0 3.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -50.18 -53.79 25.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -65.37 -17.47 64.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.26 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 45' ' ' GLN . . . 67.83 59.13 6.79 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.512 1.132 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -139.38 73.91 0.4 Allowed Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 17.0 m -61.78 126.96 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -127.25 166.99 16.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 110.28 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -90.35 102.4 15.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.632 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.6 mm -131.08 113.07 23.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.74 77.01 7.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 110.012 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.52 ' CG ' ' OE1' ' A' ' 38' ' ' GLN . 71.0 m95 -59.55 -42.98 93.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 108.043 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.3 t -42.78 -59.29 2.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.062 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -62.89 -45.14 93.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 57.6 t -48.14 -61.52 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.558 ' CE3' ' HG2' ' A' ' 34' ' ' LYS . 43.5 m95 -59.1 -25.01 63.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 108.001 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.38 30.45 1.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.265 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.7 m -146.63 -45.73 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.417 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.559 ' CE2' ' HB2' ' A' ' 94' ' ' LYS . 39.8 m-85 -110.18 156.26 20.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -120.38 172.89 7.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.605 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 37.6 mt -115.0 117.68 31.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.84 160.58 21.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.415 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.0 t -138.2 -82.85 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.961 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -98.44 31.29 2.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 97.16 -19.46 54.68 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -78.12 100.61 6.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 0.751 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.473 ' HE3' ' CD1' ' A' ' 93' ' ' ILE . 7.6 mmtm -61.33 113.06 2.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.48 ' CD2' ' CD1' ' A' ' 82' ' ' TYR . 13.8 mt -74.71 91.15 2.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 70.7 p -120.59 1.35 10.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.419 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.423 ' CB ' ' HB3' ' A' ' 77' ' ' LYS . 0.4 OUTLIER -100.22 103.33 14.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.253 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -68.31 -30.49 69.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -76.51 -34.27 58.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.507 ' HD3' ' CE2' ' A' ' 82' ' ' TYR . 3.3 tttt -70.89 132.05 44.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -79.15 154.45 29.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.415 HD23 ' N ' ' A' ' 30' ' ' VAL . 48.8 mt -60.1 -36.67 77.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.2 ttt180 -59.92 -38.26 81.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.253 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.94 -28.31 66.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.507 ' CE2' ' HD3' ' A' ' 77' ' ' LYS . 18.0 m-85 -89.03 -2.69 58.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 83.88 16.91 66.64 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.463 1.102 . . . . 0.0 111.03 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 82.3 mt -83.51 110.78 18.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 79.4 mmt-85 -104.94 -174.7 2.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -70.36 154.97 41.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.28 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.98 31.26 20.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.32 162.66 13.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -121.74 115.12 22.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.284 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.2 t -99.93 149.95 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.3 163.59 14.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.998 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -112.12 164.84 12.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.473 ' CD1' ' HE3' ' A' ' 71' ' ' LYS . 10.2 tt -157.04 150.66 9.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.559 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 2.0 tmtt? -108.82 139.17 44.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -174.25 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.19 121.61 44.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 127.54 -134.82 8.44 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 11.7 mp0 65.42 142.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.6 tttp -99.65 -73.15 0.64 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 33.9 p -45.81 150.84 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.005 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 167.53 -145.37 9.71 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.539 1.15 . . . . 0.0 110.998 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 153.0 41.42 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 110.987 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.85 108.27 1.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.034 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.65 96.8 2.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.02 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.065 0 O-C-N 124.507 1.13 . . . . 0.0 111.001 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.1 p -139.5 107.88 5.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 110.008 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.0 p -139.19 -58.32 0.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.4 145.54 4.74 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.469 1.106 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.9 p -138.58 118.72 13.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 110.008 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.2 p -55.28 169.66 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.05 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.22 -167.92 20.29 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.63 175.48 9.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 0.784 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 m -117.03 99.39 7.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.385 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 61.1 t -92.59 136.96 23.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.8 mtt85 -103.79 159.86 15.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.469 HG22 ' CD1' ' A' ' 37' ' ' ILE . 59.5 t -125.83 119.37 54.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 15.0 t -104.35 91.51 3.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 108.335 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.8 mtmt -59.72 -97.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.75 -42.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -64.73 -41.49 95.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 134.68 44.21 0.11 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -109.4 138.16 46.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 0.758 . . . . 0.0 110.321 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.1 t -130.05 122.02 53.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.515 ' SD ' ' CE1' ' A' ' 40' ' ' TYR . 11.8 mtm -117.86 122.68 30.35 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 106.88 2.36 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.556 1.819 . . . . 0.0 110.977 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.508 ' CG1' ' CB ' ' A' ' 36' ' ' ALA . 50.3 t -104.12 148.2 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.491 ' O ' ' CG1' ' A' ' 24' ' ' VAL . 55.4 t -117.58 146.53 21.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.491 ' CG1' ' O ' ' A' ' 23' ' ' VAL . 19.8 m -158.21 163.43 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.416 HG21 ' N ' ' A' ' 28' ' ' ALA . 33.8 m -63.96 143.95 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -47.03 -24.24 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -122.1 53.82 1.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.416 ' N ' HG21 ' A' ' 25' ' ' VAL . . . -82.54 175.55 10.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.1 p -129.7 179.15 5.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.439 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 74' ' ' GLU . 60.0 t -57.82 -40.47 76.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.468 ' HG ' ' CD ' ' A' ' 35' ' ' LYS . 6.5 tp -60.03 -55.59 32.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 33' ' ' LEU . 74.5 m-20 -48.33 -58.51 4.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.529 ' CD1' ' CD1' ' A' ' 37' ' ' ILE . 0.5 OUTLIER -39.7 -53.55 2.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -56.8 -65.75 0.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.244 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.468 ' CD ' ' HG ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -42.29 -42.54 3.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.508 ' CB ' ' CG1' ' A' ' 22' ' ' VAL . . . -59.47 -70.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.529 ' CD1' ' CD1' ' A' ' 33' ' ' LEU . 78.3 mt -45.09 -26.74 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -77.47 -52.33 9.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.445 1.09 . . . . 0.0 110.274 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -10.46 18.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.515 ' CE1' ' SD ' ' A' ' 20' ' ' MET . 5.8 t80 -79.9 -42.32 24.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.0 t -94.53 -48.31 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -45.85 -70.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mt -53.84 -54.07 43.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.405 ' CB ' ' O ' ' A' ' 40' ' ' TYR . 3.7 ttmt -43.8 -62.2 1.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -53.42 -40.72 65.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.29 -45.81 65.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.77 -16.72 61.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -106.13 14.78 27.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.299 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.62 69.29 1.41 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -143.19 163.43 27.43 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -141.22 176.18 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 0.775 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -74.86 105.52 5.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.299 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -159.74 36.92 0.19 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.632 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.3 mt -112.88 1.29 8.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 53.89 43.87 30.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.948 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TRP . . . . . 0.452 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 47.7 m95 -44.9 -46.38 10.88 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.6 m -49.4 -54.67 16.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.931 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -66.79 -40.19 88.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.0 t -51.76 -52.21 23.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.452 ' CD1' ' O ' ' A' ' 56' ' ' TRP . 72.3 m95 -65.73 -41.18 92.53 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -61.79 -18.02 58.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.1 m -102.64 -60.7 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.175 . . . . 0.0 110.431 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.555 ' CE1' ' HB2' ' A' ' 94' ' ' LYS . 96.4 m-85 -98.46 154.51 17.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -126.28 168.93 13.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.591 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.567 HD22 ' CE1' ' A' ' 92' ' ' PHE . 87.0 mt -97.12 115.29 27.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -107.69 160.59 15.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.421 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 35.2 p -134.48 -53.59 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.977 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -164.54 67.18 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.43 -7.72 60.48 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.461 1.101 . . . . 0.0 110.958 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -103.49 106.02 16.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 0.783 . . . . 0.0 110.301 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -71.55 115.56 10.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.337 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.682 ' CD2' ' CD1' ' A' ' 82' ' ' TYR . 7.8 mt -79.58 79.51 6.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 61.3 p -109.86 -43.81 3.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.409 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.495 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -55.56 119.21 5.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.2 -34.79 21.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -70.31 -28.27 65.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.318 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -77.11 124.65 28.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.113 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -68.78 163.79 23.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 33.1 mt -68.44 -39.77 81.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.66 -28.32 60.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.343 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.22 -22.73 60.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.682 ' CD1' ' CD2' ' A' ' 72' ' ' LEU . 2.7 m-85 -95.6 18.9 11.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 61.08 27.87 67.98 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 34.1 mm -78.83 150.0 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 0.758 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -142.05 -178.43 5.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -79.83 145.03 32.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 63.84 32.76 13.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -85.01 178.32 7.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -136.44 108.85 7.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.332 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 39.9 t -97.75 142.7 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -111.91 161.79 16.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.969 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.567 ' CE1' HD22 ' A' ' 65' ' ' LEU . 0.3 OUTLIER -106.77 123.48 48.21 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.133 . . . . 0.0 110.999 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.7 tt -108.94 166.91 4.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.555 ' HB2' ' CE1' ' A' ' 63' ' ' TYR . 2.8 ttmt -115.9 139.99 49.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -65.85 -178.63 0.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.6 tp -87.56 92.51 9.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 99' ' ' LYS . . . -168.5 -56.92 0.03 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 63.31 -78.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 0.793 . . . . 0.0 110.331 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 97' ' ' GLY . 3.6 tttp 79.8 172.64 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.93 143.47 31.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.007 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 172.94 157.26 14.25 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 118.34 5.22 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.504 1.792 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 35.4 m -148.47 149.34 31.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.01 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 26.4 m 58.7 100.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.996 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.2 ptm -154.67 157.31 37.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 0.763 . . . . 0.0 110.972 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 m -105.93 100.43 9.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.366 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.6 HG11 HD21 ' A' ' 33' ' ' LEU . 87.0 t -94.39 118.21 39.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -82.49 137.2 34.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.411 HG11 ' HE2' ' A' ' 92' ' ' PHE . 70.5 t -120.5 86.51 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.4 t -68.55 81.03 0.27 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 108.308 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.1 mtp -121.34 124.01 27.45 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.967 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 108.83 2.81 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.507 1.793 . . . . 0.0 111.051 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.754 HG21 HG12 ' A' ' 37' ' ' ILE . 71.8 t -102.49 151.03 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.6 ' O ' HG13 ' A' ' 24' ' ' VAL . 14.7 p -114.88 144.98 21.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.6 HG13 ' O ' ' A' ' 23' ' ' VAL . 15.7 m -157.71 170.66 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.444 HG23 ' C ' ' A' ' 27' ' ' ASN . 32.3 m -70.69 155.93 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -20.4 21.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 110.273 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.444 ' C ' HG23 ' A' ' 25' ' ' VAL . 2.0 m120 -127.44 58.27 1.47 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.04 176.72 6.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.457 HG22 ' HA ' ' A' ' 78' ' ' LYS . 72.2 p -130.85 -177.82 4.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 110.41 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.534 ' N ' HD21 ' A' ' 79' ' ' LEU . 83.7 t -61.13 -40.41 85.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.746 HD22 ' HE3' ' A' ' 35' ' ' LYS . 1.4 mt -58.51 -64.47 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -40.64 -56.4 2.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.258 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.63 HD12 HD13 ' A' ' 65' ' ' LEU . 0.2 OUTLIER -39.87 -51.89 2.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.569 ' HG2' ' CE3' ' A' ' 60' ' ' TRP . 0.7 OUTLIER -58.15 -53.77 54.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.746 ' HE3' HD22 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -52.85 -47.48 67.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.52 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -56.94 -61.67 2.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.754 HG12 HG21 ' A' ' 22' ' ' VAL . 71.5 mt -41.68 -35.89 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -78.7 -42.34 28.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.747 ' O ' HD23 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -70.29 -6.37 34.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.338 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.44 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 4.0 t80 -87.49 -37.48 16.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.1 t -93.66 -34.64 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -67.36 -66.36 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.25 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.747 HD23 ' O ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -49.82 -43.17 48.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.097 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -55.08 -58.55 7.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -52.71 -50.16 63.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.274 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.45 ' O ' HG23 ' A' ' 59' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.5 ' HB3' ' CD1' ' A' ' 60' ' ' TRP . 90.2 m95 -61.96 -27.71 69.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 108.034 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.8 m -52.67 -60.43 3.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.022 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -66.08 -47.31 74.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 55' ' ' SER . 55.7 t -46.98 -59.05 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.569 ' CE3' ' HG2' ' A' ' 34' ' ' LYS . 50.7 m95 -62.32 -37.49 85.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 107.985 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.65 39.99 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 33.0 m -155.35 -45.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.535 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 98.7 m-85 -118.86 159.86 22.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -124.31 -178.99 4.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.632 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.63 HD13 HD12 ' A' ' 33' ' ' LEU . 58.0 mt -108.01 123.08 48.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.584 HG21 ' HB ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -119.99 160.9 21.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.407 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.519 ' HB2' HG22 ' A' ' 90' ' ' VAL . 3.9 t -133.17 -62.52 0.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.98 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -161.26 69.86 0.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.11 -29.91 5.78 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -79.19 107.64 12.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.438 ' HE2' HD13 ' A' ' 93' ' ' ILE . 14.0 mttt -78.76 113.81 17.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.64 HD21 HD11 ' A' ' 84' ' ' ILE . 10.2 mt -80.45 83.96 6.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.36 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 72.6 p -109.57 -54.75 2.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.422 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.51 127.5 29.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.452 ' HB3' HD12 ' A' ' 31' ' ' LEU . 8.5 m-20 -94.91 -28.02 15.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.81 -2.59 37.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.332 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -105.87 121.66 44.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.457 ' HA ' HG22 ' A' ' 29' ' ' THR . 3.4 mttp -63.56 148.12 49.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.534 HD21 ' N ' ' A' ' 30' ' ' VAL . 34.7 mt -62.58 -39.64 94.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.159 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.52 -21.75 11.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.81 -28.8 27.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -77.6 -12.95 60.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 101.35 9.64 43.84 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.64 HD11 HD21 ' A' ' 72' ' ' LEU . 48.8 mt -92.79 125.33 45.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -122.89 -175.15 3.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.412 ' OD1' ' C ' ' A' ' 86' ' ' ASN . 4.6 t-20 -63.06 140.95 58.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 20.4 mtt180 63.74 57.56 1.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.406 ' OD2' HG23 ' A' ' 84' ' ' ILE . 19.1 t70 -115.37 169.44 9.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -117.55 109.67 16.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.302 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.519 HG22 ' HB2' ' A' ' 67' ' ' SER . 6.5 t -118.05 148.45 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.22 168.15 19.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 110.008 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.465 ' CZ ' HD21 ' A' ' 65' ' ' LEU . 4.8 m-85 -91.17 163.1 14.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.584 ' HB ' HG21 ' A' ' 66' ' ' THR . 15.6 tt -142.51 158.61 19.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.535 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 1.0 OUTLIER -110.1 129.59 55.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.976 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.546 ' CG ' HG23 ' A' ' 24' ' ' VAL . 1.2 ptm -151.75 155.34 38.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.761 . . . . 0.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.8 m -102.54 102.19 12.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 110.421 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.766 HG11 HD21 ' A' ' 33' ' ' LEU . 87.2 t -98.19 120.94 48.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.9 mtt-85 -89.03 145.55 25.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.55 HG21 ' CD1' ' A' ' 37' ' ' ILE . 47.3 t -114.66 138.52 44.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.9 t -104.31 85.42 2.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 108.3 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.4 mtmt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.7 t . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.8 mtp -139.28 122.52 10.7 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.987 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 108.69 2.77 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.506 1.793 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.917 HG21 HG12 ' A' ' 37' ' ' ILE . 96.0 t -102.68 150.53 6.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.664 ' O ' HG13 ' A' ' 24' ' ' VAL . 12.3 p -115.39 148.87 17.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.664 HG13 ' O ' ' A' ' 23' ' ' VAL . 4.7 m -159.04 170.68 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.478 HG23 ' N ' ' A' ' 28' ' ' ALA . 24.0 m -76.17 143.54 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -40.91 -40.94 1.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.334 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -109.39 49.88 0.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.478 ' N ' HG23 ' A' ' 25' ' ' VAL . . . -74.29 176.27 6.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.539 ' C ' HD21 ' A' ' 79' ' ' LEU . 30.8 p -131.04 -175.61 3.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.394 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 74' ' ' GLU . 91.6 t -61.56 -49.58 83.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.349 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.68 HD22 ' HE2' ' A' ' 35' ' ' LYS . 0.7 OUTLIER -52.76 -55.49 22.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.27 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.436 ' OD2' HG12 ' A' ' 24' ' ' VAL . 5.5 t70 -43.83 -53.66 5.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.766 HD21 HG11 ' A' ' 10' ' ' VAL . 0.4 OUTLIER -39.03 -71.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.835 ' HG3' HD21 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -45.81 -58.09 3.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.68 ' HE2' HD22 ' A' ' 31' ' ' LEU . 60.4 mttm -44.1 -50.38 8.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.486 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -56.64 -67.25 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.917 HG12 HG21 ' A' ' 22' ' ' VAL . 96.1 mt -39.87 -32.03 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.421 ' OE1' ' NE1' ' A' ' 60' ' ' TRP . 3.9 mt-30 -76.21 -49.37 17.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.704 ' O ' HD23 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -66.16 -9.04 27.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.333 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -85.54 -36.53 20.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.4 t -93.75 -35.17 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -67.33 -67.3 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.722 HD12 ' C ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -48.55 -44.95 36.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.0 tttt -54.24 -66.88 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -48.31 -53.57 16.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 70.0 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -66.76 -47.53 71.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 108.014 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 61' ' ' ARG . 3.0 m -39.46 -60.89 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.007 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -54.54 -49.22 70.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 111.04 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.4 t -50.59 -51.99 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.538 ' CE3' ' HG2' ' A' ' 34' ' ' LYS . 45.4 m95 -69.74 -27.39 64.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 108.037 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 57' ' ' SER . 0.1 OUTLIER -90.69 36.18 0.9 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.578 1.174 . . . . 0.0 110.295 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.5 HG22 ' CD2' ' A' ' 63' ' ' TYR . 1.9 m -157.94 -44.81 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.501 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 97.9 m-85 -118.81 161.23 20.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.404 ' C ' HD13 ' A' ' 65' ' ' LEU . 93.2 m-70 -141.69 167.03 23.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.612 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.835 HD21 ' HG3' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -89.05 122.66 32.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.421 ' OG1' ' N ' ' A' ' 67' ' ' SER . 2.7 t -105.76 175.39 5.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.355 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.421 ' N ' ' OG1' ' A' ' 66' ' ' THR . 4.8 t 166.04 150.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 109.977 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 43.5 45.42 5.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 46.99 41.91 14.8 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -136.42 136.25 39.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 0.746 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -85.77 119.05 25.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.45 HD12 ' O ' ' A' ' 65' ' ' LEU . 6.0 mt -89.78 88.33 7.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 70.4 p -111.12 -36.02 5.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.409 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.494 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -65.04 122.87 18.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.92 -35.03 26.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -69.4 -34.17 74.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.343 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.446 ' HG2' ' CE2' ' A' ' 82' ' ' TYR . 17.4 tttt -69.48 129.07 38.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -76.17 155.57 34.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.539 HD21 ' C ' ' A' ' 29' ' ' THR . 21.3 mt -67.66 -45.24 75.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -57.29 -17.43 11.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.27 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.48 -10.41 54.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.446 ' CE2' ' HG2' ' A' ' 77' ' ' LYS . 1.9 m-85 -102.87 -1.93 28.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.937 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.93 17.79 50.0 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.531 1.144 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 21.7 mt -98.05 107.36 20.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 0.739 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -99.96 -174.75 2.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.355 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -74.22 148.97 41.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.3 mtm-85 65.74 31.22 9.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.314 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -100.1 158.86 15.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -106.01 122.71 46.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.27 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.6 t -111.66 157.49 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.17 166.9 18.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.012 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.521 ' CE1' ' CD1' ' A' ' 65' ' ' LEU . 0.7 OUTLIER -106.3 127.03 52.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' A' ' 63' ' ' TYR . 1.3 tt -111.9 167.61 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.501 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 10.2 tttt -118.83 133.47 55.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.54 169.98 19.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 110.956 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -118.87 95.91 5.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.415 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.625 HG11 HD21 ' A' ' 33' ' ' LEU . 88.1 t -88.23 112.53 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.0 mtt-85 -81.48 133.46 35.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 110.3 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.81 HG21 HD11 ' A' ' 37' ' ' ILE . 5.0 t -116.59 91.83 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 14' ' ' LYS . 28.6 t -74.23 84.76 1.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 108.286 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 13' ' ' CYS . 52.3 mtmt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 2.4 p . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.6 mtm -116.91 122.93 30.79 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.406 ' O ' ' CE2' ' A' ' 40' ' ' TYR . 18.2 Cg_endo -74.95 108.48 2.73 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.562 1.822 . . . . 0.0 111.043 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.93 HG21 HG12 ' A' ' 37' ' ' ILE . 47.2 t -102.4 146.18 10.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 68.8 t -114.09 145.39 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.43 ' HB ' ' CB ' ' A' ' 28' ' ' ALA . 4.2 m -150.54 175.35 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.438 HG22 ' HB2' ' A' ' 28' ' ' ALA . 25.1 m -72.09 145.63 12.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.6 -25.89 0.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.434 ' C ' HG23 ' A' ' 25' ' ' VAL . 7.6 m120 -128.35 65.54 1.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.438 ' HB2' HG22 ' A' ' 25' ' ' VAL . . . -94.57 177.96 5.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.229 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.451 ' C ' HD21 ' A' ' 79' ' ' LEU . 15.2 p -129.59 -175.53 3.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.433 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.501 HG21 ' O ' ' A' ' 74' ' ' GLU . 91.2 t -58.17 -63.06 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 tp -42.98 -58.29 2.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 33' ' ' LEU . 19.2 t0 -42.08 -57.59 2.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.908 HD12 HD13 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -40.13 -59.03 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.556 ' HG2' ' CE3' ' A' ' 60' ' ' TRP . 0.8 OUTLIER -51.94 -57.74 8.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.113 . . . . 0.0 109.27 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -42.67 -48.27 5.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.512 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -58.04 -65.97 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.93 HG12 HG21 ' A' ' 22' ' ' VAL . 77.5 mt -39.43 -35.77 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.41 ' OE1' ' NE1' ' A' ' 60' ' ' TRP . 3.8 mt-30 -76.15 -49.9 16.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.714 ' O ' HD23 ' A' ' 43' ' ' LEU . 2.5 mtt180 -69.2 -6.86 31.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.112 . . . . 0.0 110.274 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.445 ' N ' ' O ' ' A' ' 36' ' ' ALA . 62.2 t80 -83.51 -45.15 13.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 89.8 t -87.04 -43.57 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -67.61 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.732 HD12 ' C ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -48.7 -42.73 35.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 109.267 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -49.68 -71.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -48.05 -52.78 18.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 67.6 m95 -52.99 -50.57 63.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 108.02 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 61' ' ' ARG . 10.4 t -39.66 -57.84 1.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.03 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -61.05 -48.55 81.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.8 t -51.88 -39.91 26.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.556 ' CE3' ' HG2' ' A' ' 34' ' ' LYS . 68.3 m95 -81.31 -30.09 34.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 108.022 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 57' ' ' SER . 0.0 OUTLIER -90.3 36.82 0.88 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.1 m -161.47 -44.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.362 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.506 ' CE2' ' HG3' ' A' ' 94' ' ' LYS . 84.6 m-85 -110.41 140.96 44.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -116.2 163.43 15.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.612 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.908 HD13 HD12 ' A' ' 33' ' ' LEU . 35.1 mt -94.08 121.92 36.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.524 HG21 ' HB ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -108.91 160.42 16.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.392 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.1 t -135.9 -87.91 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.33 -85.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.082 . . . . 0.0 109.328 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -134.65 24.58 3.49 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -126.78 152.19 47.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 0.778 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.485 ' HE3' HD13 ' A' ' 93' ' ' ILE . 5.0 mttp -101.82 112.75 25.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.673 HD21 HD11 ' A' ' 84' ' ' ILE . 14.8 mt -68.33 86.89 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.7 p -111.06 -64.47 1.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.409 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.501 ' O ' HG21 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -44.46 137.28 3.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.264 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.01 -47.64 5.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -56.86 -20.48 23.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.2 tttt -84.58 132.45 34.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.67 154.12 30.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.451 HD21 ' C ' ' A' ' 29' ' ' THR . 34.7 mt -62.27 -37.32 85.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.492 ' CZ ' ' OD1' ' A' ' 81' ' ' ASP . 0.4 OUTLIER -60.57 -31.26 70.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 110.323 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.492 ' OD1' ' CZ ' ' A' ' 80' ' ' ARG . 2.7 m-20 -74.61 -17.19 60.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.521 ' CD1' HD23 ' A' ' 72' ' ' LEU . 1.2 m-85 -91.49 -3.15 56.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 93.3 6.13 63.13 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.512 1.133 . . . . 0.0 110.996 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.673 HD11 HD21 ' A' ' 72' ' ' LEU . 68.1 mt -85.91 154.54 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.745 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.474 ' N ' ' CD ' ' A' ' 85' ' ' ARG . 0.0 OUTLIER -148.15 -174.3 4.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -66.87 144.48 56.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 57.55 61.01 2.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -115.27 172.6 6.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -118.91 109.2 15.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.334 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.433 HG13 ' O ' ' A' ' 66' ' ' THR . 6.6 t -111.88 148.22 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.95 165.14 22.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.0 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.488 ' CZ ' HD21 ' A' ' 65' ' ' LEU . 0.5 OUTLIER -96.67 149.66 21.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 111.0 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.524 ' HB ' HG21 ' A' ' 66' ' ' THR . 16.1 tt -142.41 161.98 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.506 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 0.5 OUTLIER -118.39 149.75 40.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 30.5 mtpt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.0 -179.47 6.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 0.794 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -124.46 98.14 5.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.405 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.762 HG11 HD21 ' A' ' 33' ' ' LEU . 93.7 t -92.65 106.52 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.425 ' HB3' HG21 ' A' ' 19' ' ' VAL . 8.3 mtt180 -78.17 119.8 22.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.713 HG21 HD11 ' A' ' 37' ' ' ILE . 17.6 t -99.33 95.73 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 51.3 t -77.48 83.52 3.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 108.315 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.251 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.425 HG21 ' HB3' ' A' ' 11' ' ' ARG . 1.9 p . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.487 ' HB3' ' HE3' ' A' ' 20' ' ' MET . 6.5 mtp -124.25 123.75 25.92 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 111.06 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 108.48 2.72 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.782 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.763 HG21 HG12 ' A' ' 37' ' ' ILE . 63.3 t -104.35 150.2 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.153 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.471 ' O ' HG13 ' A' ' 24' ' ' VAL . 41.9 t -114.07 145.64 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 23' ' ' VAL . 15.3 m -153.94 168.68 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.46 HG23 ' N ' ' A' ' 28' ' ' ALA . 13.5 m -61.53 159.34 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -57.19 -16.96 9.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 110.333 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -141.51 65.47 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.465 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -87.36 179.42 6.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.3 p -131.05 -177.46 4.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.412 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.421 ' CG2' ' O ' ' A' ' 74' ' ' GLU . 70.3 t -58.32 -44.9 89.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 31' ' ' LEU . 7.6 tp -57.41 -59.62 4.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -44.65 -57.02 3.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.762 HD21 HG11 ' A' ' 10' ' ' VAL . 0.4 OUTLIER -40.6 -59.2 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 109.268 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.661 ' HG3' HD11 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -49.82 -60.2 3.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.24 -51.14 14.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.612 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -50.44 -65.63 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.763 HG12 HG21 ' A' ' 22' ' ' VAL . 74.4 mt -40.19 -33.08 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.404 ' N ' ' C ' ' A' ' 36' ' ' ALA . 10.3 mt-30 -78.84 -53.11 7.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -8.86 22.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.617 ' HD2' HG23 ' A' ' 41' ' ' VAL . 43.0 t80 -79.9 -42.6 23.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.617 HG23 ' HD2' ' A' ' 40' ' ' TYR . 82.6 t -94.83 -50.62 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -42.9 -70.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.34 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mt -50.14 -34.21 21.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.04 -66.25 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.147 . . . . 0.0 109.34 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -52.97 -43.02 66.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.56 ' HB3' ' CD1' ' A' ' 60' ' ' TRP . 75.2 m95 -53.26 -34.94 59.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 108.02 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.437 ' O ' ' CB ' ' A' ' 61' ' ' ARG . 16.7 m -49.63 -58.53 5.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -61.15 -53.36 57.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 73.5 t -47.69 -58.47 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.56 ' CD1' ' HB3' ' A' ' 56' ' ' TRP . 44.0 m95 -63.17 -38.32 90.69 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.437 ' CB ' ' O ' ' A' ' 57' ' ' SER . 0.3 OUTLIER -88.65 41.55 1.03 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 110.284 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.514 HG22 ' CD1' ' A' ' 63' ' ' TYR . 17.5 m -158.36 -45.21 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 110.404 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.514 ' CD1' HG22 ' A' ' 62' ' ' THR . 83.3 m-85 -121.61 161.47 22.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 22.9 m80 -130.97 176.57 8.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.613 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.713 HD13 HD12 ' A' ' 33' ' ' LEU . 4.5 mt -104.52 131.61 51.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 67' ' ' SER . 1.6 t -108.3 174.85 5.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.375 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.52 ' HB3' HD11 ' A' ' 72' ' ' LEU . 1.0 OUTLIER -179.23 132.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.047 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 67' ' ' SER . . . 69.52 -64.56 0.34 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.253 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 67' ' ' SER . . . 170.74 39.43 0.03 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.453 1.096 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -146.16 159.98 42.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 0.787 . . . . 0.0 110.299 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -90.27 118.89 30.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.687 HD23 ' CE1' ' A' ' 82' ' ' TYR . 15.0 mt -80.87 79.17 7.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.8 p -105.57 -19.76 13.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 110.366 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.421 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.5 OUTLIER -76.38 115.05 15.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.03 -33.8 33.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -75.58 -18.06 59.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.4 ' CB ' ' HB3' ' A' ' 74' ' ' GLU . 2.4 tttt -85.21 122.39 29.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.23 159.72 30.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 95.3 mt -65.83 -41.61 91.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.53 -23.6 58.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 110.339 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -72.42 -17.4 61.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.687 ' CE1' HD23 ' A' ' 72' ' ' LEU . 14.9 m-85 -102.55 12.36 36.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 111.056 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 77.68 24.27 65.35 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 33.3 mt -95.95 128.16 47.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 0.779 . . . . 0.0 109.253 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -126.09 -175.38 3.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -63.29 135.56 57.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 63.13 69.74 0.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.29 165.38 17.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -112.6 113.63 25.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.4 t -111.84 151.98 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.21 167.26 17.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.025 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.6 ' CZ ' HD21 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -102.88 130.53 49.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.978 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.5 tt -110.31 169.18 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.425 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 11.8 tttt -115.15 149.43 37.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.401 ' N ' ' HG2' ' A' ' 94' ' ' LYS . 5.6 mtpt . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.426 ' CB ' ' HA ' ' A' ' 86' ' ' ASN . 1.5 ptm -149.2 171.9 15.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 0.769 . . . . 0.0 110.977 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -124.48 103.41 8.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.394 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.768 HG11 HD21 ' A' ' 33' ' ' LEU . 88.1 t -98.19 98.49 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -71.83 112.04 7.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 110.278 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.563 HG21 ' CD1' ' A' ' 37' ' ' ILE . 0.3 OUTLIER -90.77 114.1 27.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.0 m -89.61 88.72 7.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 108.319 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.43 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.461 ' HE1' ' CG2' ' A' ' 41' ' ' VAL . 3.6 mtp -128.84 125.62 23.01 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 109.55 2.95 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.484 1.781 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.86 HG21 HG12 ' A' ' 37' ' ' ILE . 57.6 t -101.91 151.92 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.464 ' O ' HG13 ' A' ' 24' ' ' VAL . 12.6 p -119.22 146.35 24.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.487 ' HB ' ' HB2' ' A' ' 28' ' ' ALA . 11.3 m -153.68 -179.53 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.471 HG23 ' C ' ' A' ' 27' ' ' ASN . 34.8 m -76.33 156.23 5.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -19.09 4.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.471 ' C ' HG23 ' A' ' 25' ' ' VAL . 41.1 p-10 -132.23 61.36 1.66 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.487 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . . . -87.97 170.09 11.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 29.8 p -131.08 170.31 14.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 110.391 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.515 HG21 ' O ' ' A' ' 74' ' ' GLU . 55.0 t -44.94 -42.6 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 31' ' ' LEU . 13.9 tp -58.44 -64.55 0.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 33' ' ' LEU . 5.8 t70 -41.26 -54.55 2.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.768 HD21 HG11 ' A' ' 10' ' ' VAL . 0.4 OUTLIER -40.2 -62.77 0.7 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.84 -56.17 15.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -46.64 -45.75 19.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.537 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -58.6 -69.08 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.86 HG12 HG21 ' A' ' 22' ' ' VAL . 42.4 mt -40.88 -32.14 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -75.6 -56.84 4.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -66.15 -8.15 22.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.43 ' N ' ' O ' ' A' ' 36' ' ' ALA . 35.6 t80 -83.6 -40.53 18.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 111.04 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.461 ' CG2' ' HE1' ' A' ' 20' ' ' MET . 65.8 t -94.72 -44.96 13.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -50.84 -70.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 43' ' ' LEU . 3.9 mt -52.0 -59.92 3.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 43' ' ' LEU . 1.5 ttpt -40.14 -58.48 1.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -57.31 -47.79 80.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.269 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.5 ' O ' HG23 ' A' ' 59' ' ' VAL . 27.9 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.002 -0.369 . . . . 0.0 110.002 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 77.5 m95 -66.97 -39.67 87.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 108.003 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.6 m -44.21 -60.42 1.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.965 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.421 ' O ' ' N ' ' A' ' 61' ' ' ARG . 36.2 t80 -60.91 -51.6 68.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 55' ' ' SER . 48.4 t -45.14 -51.92 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -70.3 -30.22 67.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 107.975 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -91.01 38.83 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.27 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 89.1 m -154.93 -44.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.424 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.448 ' CE1' ' HB2' ' A' ' 94' ' ' LYS . 96.4 m-85 -121.44 149.91 42.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.41 ' O ' HG22 ' A' ' 93' ' ' ILE . 84.5 m-70 -118.79 165.29 14.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.605 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.716 HD13 HD12 ' A' ' 33' ' ' LEU . 54.3 mt -94.04 137.99 32.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.435 ' OG1' ' N ' ' A' ' 67' ' ' SER . 3.6 t -129.59 178.06 6.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.383 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.626 ' HB2' HG22 ' A' ' 90' ' ' VAL . 1.5 t 175.08 137.33 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.949 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 67' ' ' SER . . . 69.5 -64.55 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.341 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 67' ' ' SER . . . 167.81 40.5 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -146.5 140.67 26.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.752 . . . . 0.0 110.287 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -79.04 118.51 21.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.578 HD23 ' CE1' ' A' ' 82' ' ' TYR . 2.1 mt -89.33 84.04 6.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 66.6 p -104.6 -37.95 6.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.379 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.515 ' O ' HG21 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -57.77 130.78 48.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.25 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.54 -39.03 9.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.7 mmt85 -66.17 -17.45 64.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 110.34 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -86.05 141.47 29.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.19 151.79 22.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.475 HD21 ' HA ' ' A' ' 30' ' ' VAL . 26.9 mt -64.53 -39.35 93.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.27 -17.5 53.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.274 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.12 -10.62 43.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.578 ' CE1' HD23 ' A' ' 72' ' ' LEU . 1.0 OUTLIER -101.21 -1.72 33.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 111.043 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 100.64 -9.96 58.96 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.506 1.129 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 49.8 mt -79.68 116.28 23.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 0.769 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 30.6 mmm-85 -118.1 -174.69 2.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.426 ' HA ' ' CB ' ' A' ' 8' ' ' MET . 4.2 t30 -55.09 137.48 46.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 62.28 60.24 1.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.57 -176.53 3.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -135.54 140.51 44.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.626 HG22 ' HB2' ' A' ' 67' ' ' SER . 2.2 t -134.21 152.41 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.01 168.12 13.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.989 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.506 ' CZ ' HD21 ' A' ' 65' ' ' LEU . 5.6 m-85 -104.86 135.46 46.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.41 HG22 ' O ' ' A' ' 64' ' ' HIS . 1.1 tt -119.39 167.4 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.448 ' HB2' ' CE1' ' A' ' 63' ' ' TYR . 12.7 ttmt -114.06 149.9 34.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.401 ' N ' ' HG2' ' A' ' 94' ' ' LYS . 17.1 mttt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.467 ' SD ' ' CG2' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -139.87 173.71 11.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 111.024 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -123.97 105.6 9.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.425 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.71 HG11 HD21 ' A' ' 33' ' ' LEU . 60.1 t -101.53 124.79 55.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.454 ' HB3' HG13 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -96.4 139.11 33.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.488 HG21 ' CD1' ' A' ' 37' ' ' ILE . 3.0 t -101.3 123.28 54.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 t -89.54 83.39 6.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 108.317 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.454 HG13 ' HB3' ' A' ' 11' ' ' ARG . 27.8 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.7 mtp -124.64 122.46 25.74 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.556 ' O ' ' CE2' ' A' ' 40' ' ' TYR . 18.4 Cg_endo -75.01 109.25 2.89 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.45 1.763 . . . . 0.0 111.048 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.937 HG21 HG12 ' A' ' 37' ' ' ILE . 85.5 t -103.35 150.27 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 109.373 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.425 ' O ' HG13 ' A' ' 24' ' ' VAL . 14.7 p -119.71 144.65 27.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.467 ' CG2' ' SD ' ' A' ' 8' ' ' MET . 20.2 m -153.16 163.3 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.513 HG23 ' C ' ' A' ' 27' ' ' ASN . 35.3 m -58.83 153.47 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.76 -20.29 3.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.513 ' C ' HG23 ' A' ' 25' ' ' VAL . 4.0 m-20 -136.31 66.85 1.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.087 . . . . 0.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.51 ' HB2' HG22 ' A' ' 25' ' ' VAL . . . -90.91 178.98 5.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 42.0 p -127.54 -176.1 3.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.388 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.579 ' HA ' HD21 ' A' ' 79' ' ' LEU . 82.9 t -61.18 -38.07 78.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 31' ' ' LEU . 7.5 tp -61.95 -60.83 3.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 33' ' ' LEU . 3.1 t0 -41.15 -55.45 2.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.73 ' CD1' HD11 ' A' ' 37' ' ' ILE . 0.4 OUTLIER -39.9 -70.56 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.531 ' HG3' HD11 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -44.16 -61.27 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -42.54 -58.23 2.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 40' ' ' TYR . . . -46.9 -67.64 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.937 HG12 HG21 ' A' ' 22' ' ' VAL . 71.7 mt -39.52 -33.64 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -78.79 -55.46 5.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.325 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.786 ' O ' HD23 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -62.0 -12.16 17.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 110.348 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.556 ' CE2' ' O ' ' A' ' 21' ' ' PRO . 58.6 t80 -81.5 -42.82 19.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.3 t -91.98 -45.28 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.338 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -50.57 -69.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.786 HD23 ' O ' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -46.96 -39.77 13.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.84 -71.1 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -54.74 -41.32 70.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.331 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 24.5 m95 -58.78 -46.47 87.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 107.991 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.473 ' O ' ' CB ' ' A' ' 61' ' ' ARG . 2.3 m -40.79 -56.5 2.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 110.01 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -58.99 -55.66 32.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 41.6 t -44.57 -62.78 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.472 ' CZ3' ' HG2' ' A' ' 34' ' ' LYS . 69.9 m95 -60.55 -36.5 78.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 107.993 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.473 ' CB ' ' O ' ' A' ' 57' ' ' SER . 0.2 OUTLIER -87.44 43.66 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.9 m -161.63 -43.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.37 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -120.3 141.34 50.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -112.59 174.63 5.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.618 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.649 HD22 ' CE1' ' A' ' 92' ' ' PHE . 17.2 mt -108.89 121.08 44.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.2 t -112.87 178.19 4.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.387 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 70' ' ' GLU . 6.8 t 171.5 147.43 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.961 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 46.83 30.99 1.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 65.51 35.99 91.97 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 67' ' ' SER . 0.7 OUTLIER -137.6 137.75 38.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 110.28 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.5 mttt -76.64 126.8 31.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.534 HD23 ' CE1' ' A' ' 82' ' ' TYR . 8.0 mt -93.89 71.02 4.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.8 p -98.43 -45.35 6.16 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.151 . . . . 0.0 110.448 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.47 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -51.51 125.35 14.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.248 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.51 -37.28 12.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 22.3 mmt-85 -63.47 -26.6 68.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.413 ' CE ' ' HB3' ' A' ' 81' ' ' ASP . 27.1 tttt -76.95 154.33 33.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -98.02 153.03 18.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.579 HD21 ' HA ' ' A' ' 30' ' ' VAL . 43.0 mt -61.31 -37.13 82.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.3 ttt85 -62.83 -47.94 81.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.413 ' HB3' ' CE ' ' A' ' 77' ' ' LYS . 13.6 m-20 -58.09 -17.94 21.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.534 ' CE1' HD23 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -91.7 -6.66 51.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 111.024 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 99.65 3.85 56.07 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 10.6 mt -94.08 104.86 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 0.762 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -104.88 -174.72 2.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 110.334 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.451 ' HA ' ' CB ' ' A' ' 8' ' ' MET . 3.6 p-10 -57.49 136.0 56.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 64.82 63.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -128.15 158.74 37.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -112.48 128.84 56.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.3 t -110.61 152.57 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.255 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.98 166.15 11.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.991 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.649 ' CE1' HD22 ' A' ' 65' ' ' LEU . 1.6 m-85 -114.63 124.17 51.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.5 tt -105.75 163.36 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 38.7 tttt -108.49 162.5 14.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.485 ' CG ' HG23 ' A' ' 24' ' ' VAL . 1.2 ptm -147.89 157.25 43.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.772 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 m -105.15 108.13 19.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.414 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.77 HG11 HD21 ' A' ' 33' ' ' LEU . 94.3 t -106.74 124.06 62.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.47 ' HG2' ' CG1' ' A' ' 19' ' ' VAL . 2.6 mpt_? -87.76 158.81 18.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.562 HG21 ' CD1' ' A' ' 37' ' ' ILE . 74.5 t -133.23 131.18 58.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.6 t -102.31 84.57 2.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 108.302 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.47 ' CG1' ' HG2' ' A' ' 11' ' ' ARG . 61.7 t . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.2 mtp -125.73 122.38 24.63 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.998 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 108.88 2.81 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.456 1.766 . . . . 0.0 111.054 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.905 HG21 HG12 ' A' ' 37' ' ' ILE . 95.7 t -101.63 150.87 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.0 t -117.5 136.3 55.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.485 HG23 ' CG ' ' A' ' 8' ' ' MET . 0.7 OUTLIER -145.61 -177.19 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.626 HG22 ' HB2' ' A' ' 28' ' ' ALA . 18.3 m -82.68 151.56 4.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -51.14 -21.29 1.87 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.097 . . . . 0.0 110.288 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.422 ' C ' HG23 ' A' ' 25' ' ' VAL . 4.0 p30 -135.08 66.31 1.53 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.626 ' HB2' HG22 ' A' ' 25' ' ' VAL . . . -95.81 173.95 7.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.256 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.4 HG22 ' HA ' ' A' ' 78' ' ' LYS . 19.3 p -125.27 -176.58 3.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 110.398 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.1 t -58.39 -45.38 89.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.673 HD22 ' HE3' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -54.07 -61.66 2.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.254 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 33' ' ' LEU . 8.2 m-20 -43.32 -54.79 4.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.77 HD21 HG11 ' A' ' 10' ' ' VAL . 0.3 OUTLIER -39.81 -52.61 2.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.331 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.461 ' HG2' ' CE3' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -57.86 -52.1 66.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.673 ' HE3' HD22 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -52.22 -51.15 59.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.554 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -52.39 -70.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.905 HG12 HG21 ' A' ' 22' ' ' VAL . 87.2 mt -39.81 -34.36 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.423 ' HG2' ' CE2' ' A' ' 56' ' ' TRP . 3.1 mt-30 -73.96 -62.92 1.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.676 ' O ' HD23 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -53.58 -18.89 3.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -76.57 -42.04 44.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.8 t -87.19 -47.26 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -53.89 -69.31 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.775 HD12 ' C ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -43.27 -37.76 2.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.112 . . . . 0.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.457 ' N ' HD12 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -57.85 -72.2 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -50.8 -41.91 57.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.541 1.15 . . . . 0.0 110.288 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.264 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.423 ' CE2' ' HG2' ' A' ' 38' ' ' GLN . 60.5 m95 -73.93 -38.49 64.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 108.023 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -39.79 -62.02 0.76 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -49.36 -52.86 25.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 77.7 t -47.21 -56.1 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.461 ' CE3' ' HG2' ' A' ' 34' ' ' LYS . 50.9 m95 -65.15 -27.93 69.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 107.98 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.3 39.98 0.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.475 HG22 ' CD1' ' A' ' 63' ' ' TYR . 5.1 m -159.61 -43.69 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.387 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.532 ' CE2' ' HG3' ' A' ' 94' ' ' LYS . 89.3 m-85 -116.29 151.86 35.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.457 ' HB2' ' CG2' ' A' ' 93' ' ' ILE . 80.9 m-70 -118.02 171.87 7.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.599 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.784 HD21 ' CZ ' ' A' ' 92' ' ' PHE . 87.3 mt -110.54 132.05 54.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.96 159.83 22.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.387 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.864 ' HG ' HD21 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -163.94 127.19 2.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 110.001 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 67' ' ' SER . . . 79.74 -52.65 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 172.73 -31.19 0.11 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -74.14 169.51 17.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 0.0 110.33 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -106.92 117.18 33.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.864 HD21 ' HG ' ' A' ' 67' ' ' SER . 14.2 mt -71.8 108.95 5.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 68.1 p -128.05 -45.65 1.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.397 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.15 120.03 11.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.519 ' CB ' HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -86.37 -36.18 19.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -67.44 -18.17 64.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.328 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.48 ' HD3' ' CE2' ' A' ' 82' ' ' TYR . 11.6 tttt -88.73 125.12 34.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.4 ' HA ' HG22 ' A' ' 29' ' ' THR . 0.9 OUTLIER -67.41 160.12 28.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.264 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.9 mt -68.55 -35.08 76.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.097 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -60.9 -42.24 97.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.437 ' HB3' ' CE ' ' A' ' 77' ' ' LYS . 17.2 m-20 -54.78 -29.65 54.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.48 ' CE2' ' HD3' ' A' ' 77' ' ' LYS . 6.2 m-85 -85.83 3.14 42.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 84.16 9.74 81.65 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.529 1.143 . . . . 0.0 111.043 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 50.9 mt -79.96 141.43 15.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.474 0.749 . . . . 0.0 109.339 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.1 mmt85 -133.98 -172.29 2.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -75.81 144.96 41.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 71.39 31.17 2.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -91.28 -179.05 5.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -134.18 116.13 15.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.597 HG22 ' HB3' ' A' ' 67' ' ' SER . 3.3 t -104.45 151.93 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.53 161.59 25.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.959 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.784 ' CZ ' HD21 ' A' ' 65' ' ' LEU . 0.7 OUTLIER -106.14 151.88 24.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.457 ' CG2' ' HB2' ' A' ' 64' ' ' HIS . 1.3 tt -135.77 161.34 38.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.532 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 7.8 tttt -116.33 134.53 54.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 8.7 mttt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.29 166.94 26.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 0.796 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -118.93 97.49 5.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.367 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.696 HG11 HD21 ' A' ' 33' ' ' LEU . 98.9 t -87.17 114.52 26.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.4 mtt85 -83.06 117.37 22.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.331 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 19' ' ' VAL . 73.9 t -96.61 98.92 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.349 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 14' ' ' LYS . 3.2 m -84.9 91.59 8.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 108.257 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 13' ' ' CYS . 54.0 mtmt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.7 mtp -115.98 122.33 32.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 111.036 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 109.25 2.9 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.436 1.756 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.893 HG21 HG12 ' A' ' 37' ' ' ILE . 99.2 t -103.46 150.41 6.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.722 ' O ' HG13 ' A' ' 24' ' ' VAL . 79.4 t -113.78 153.0 15.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.722 HG13 ' O ' ' A' ' 23' ' ' VAL . 5.4 m -160.52 173.94 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.521 HG23 ' C ' ' A' ' 27' ' ' ASN . 21.9 m -73.82 152.77 7.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -21.94 1.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.521 ' C ' HG23 ' A' ' 25' ' ' VAL . 3.0 m-20 -131.24 63.58 1.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.465 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -91.05 178.17 6.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.579 1.175 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 77' ' ' LYS . 82.3 p -128.83 -174.5 3.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.364 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.617 ' HA ' HD21 ' A' ' 79' ' ' LEU . 86.8 t -64.14 -46.4 93.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.936 HD22 ' HE2' ' A' ' 35' ' ' LYS . 1.1 mt -52.56 -64.94 0.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.268 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 33' ' ' LEU . 1.2 m-20 -40.17 -55.29 2.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.965 HD12 HD13 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -39.81 -50.22 2.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.531 ' HG3' HD11 ' A' ' 65' ' ' LEU . 1.1 mptp? -67.09 -48.78 67.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.936 ' HE2' HD22 ' A' ' 31' ' ' LEU . 39.9 mttm -50.98 -53.39 33.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 40' ' ' TYR . . . -53.67 -63.19 1.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.893 HG12 HG21 ' A' ' 22' ' ' VAL . 55.2 mt -39.35 -35.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -76.14 -50.23 15.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -68.28 -6.49 24.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.434 ' O ' ' CB ' ' A' ' 44' ' ' LYS . 8.1 t80 -86.07 -39.05 17.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 111.029 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.4 t -94.94 -42.42 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -54.81 -70.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.442 ' HA ' HD23 ' A' ' 43' ' ' LEU . 3.9 mt -51.79 -52.21 50.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 40' ' ' TYR . 17.4 tttt -46.04 -59.19 3.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -55.49 -53.84 51.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.326 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.0 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 81.9 m95 -70.93 -45.88 63.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 107.988 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.2 m -41.0 -50.69 3.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.976 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -63.97 -50.74 67.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 110.977 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.7 t -50.77 -53.79 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.412 ' CZ3' ' HG2' ' A' ' 34' ' ' LYS . 40.8 m95 -65.38 -34.1 77.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 108.015 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -90.76 37.74 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.1 m -157.29 -47.06 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.389 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.444 ' CE1' ' HB2' ' A' ' 94' ' ' LYS . 72.4 m-85 -112.88 160.92 17.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.428 1.08 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -133.53 171.42 14.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.605 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.965 HD13 HD12 ' A' ' 33' ' ' LEU . 28.2 mt -102.66 138.29 39.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.13 166.54 15.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.412 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.918 ' OG ' HD21 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -167.99 128.55 1.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.022 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 67' ' ' SER . . . 69.17 -64.9 0.31 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 67' ' ' SER . . . 173.32 38.56 0.04 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.506 1.128 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -140.62 145.06 36.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -79.82 119.31 22.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.918 HD21 ' OG ' ' A' ' 67' ' ' SER . 21.7 mt -80.1 86.78 5.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.4 p -107.67 -59.93 1.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.411 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.05 121.1 3.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.659 ' CB ' HD12 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -91.26 -35.89 14.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.113 . . . . 0.0 109.284 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -12.64 56.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.245 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.414 ' O ' ' HB ' ' A' ' 29' ' ' THR . 23.4 tttt -90.34 149.0 22.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.96 146.32 23.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.145 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.617 HD21 ' HA ' ' A' ' 30' ' ' VAL . 38.1 mt -58.37 -42.12 86.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.58 -36.5 74.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.07 -15.41 63.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -95.65 -3.01 46.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 97.3 5.91 57.87 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.551 1.157 . . . . 0.0 111.022 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.678 HD11 ' OG ' ' A' ' 67' ' ' SER . 24.0 mt -92.53 103.89 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -102.62 -174.56 2.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -61.29 139.71 58.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 62.11 60.61 1.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -114.42 172.47 7.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -122.17 109.06 14.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.433 HG22 ' HB3' ' A' ' 67' ' ' SER . 6.1 t -107.28 147.44 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.12 167.11 15.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.02 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.634 ' CZ ' HD21 ' A' ' 65' ' ' LEU . 0.6 OUTLIER -102.25 138.95 38.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 111.03 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.7 tt -118.54 163.02 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.444 ' HB2' ' CE1' ' A' ' 63' ' ' TYR . 4.4 ttmt -114.08 147.15 39.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.403 ' N ' ' HG2' ' A' ' 94' ' ' LYS . 5.5 mtpt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.438 ' CB ' ' HA ' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -146.49 174.1 11.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 110.996 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -118.08 99.68 7.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.384 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.76 HG11 HD21 ' A' ' 33' ' ' LEU . 99.4 t -93.4 107.42 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.2 mtt85 -76.76 139.11 40.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.535 HG21 ' CD1' ' A' ' 37' ' ' ILE . 89.9 t -120.27 83.97 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.0 t -67.64 80.73 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 108.312 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -179.932 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.6 p . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.2 mtp -112.55 122.7 35.69 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 108.78 2.8 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.44 1.758 . . . . 0.0 110.964 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.947 HG21 HG12 ' A' ' 37' ' ' ILE . 94.1 t -104.58 150.05 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 24' ' ' VAL . 24.9 t -115.7 145.38 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.516 ' HB ' ' HB2' ' A' ' 28' ' ' ALA . 3.5 m -151.84 179.61 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.3 m -75.53 150.17 6.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -44.28 -36.94 2.98 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -118.26 60.33 0.79 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.516 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . . . -77.87 178.54 7.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 78.6 p -131.21 -175.51 3.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.386 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 74' ' ' GLU . 88.0 t -64.07 -55.58 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.241 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 tp -54.52 -56.29 20.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.9 OUTLIER -41.2 -58.26 1.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.76 HD21 HG11 ' A' ' 10' ' ' VAL . 0.6 OUTLIER -39.04 -60.26 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.532 ' HG2' ' CZ3' ' A' ' 60' ' ' TRP . 0.3 OUTLIER -49.83 -56.32 10.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -43.29 -44.23 5.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 40' ' ' TYR . . . -64.07 -66.1 0.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.947 HG12 HG21 ' A' ' 22' ' ' VAL . 80.5 mt -39.83 -35.14 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.443 ' HG2' ' CD1' ' A' ' 56' ' ' TRP . 7.2 mt-30 -74.83 -55.73 5.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.748 ' O ' HD23 ' A' ' 43' ' ' LEU . 14.4 mmt85 -64.18 -10.49 23.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' ALA . 39.9 t80 -82.44 -41.3 20.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 39.0 t -93.33 -44.52 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -52.06 -63.54 1.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.34 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.772 HD12 ' C ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -51.75 -40.73 60.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.454 ' N ' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -51.33 -62.25 1.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 46' ' ' GLU . 56.8 mt-30 -58.17 -49.27 77.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 59.4 m . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.443 ' CD1' ' HG2' ' A' ' 38' ' ' GLN . 77.5 m95 -76.19 -41.42 49.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 108.017 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.0 m -44.79 -53.95 6.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.071 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -55.21 -47.76 74.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 38.5 t -51.18 -55.41 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.347 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.532 ' CZ3' ' HG2' ' A' ' 34' ' ' LYS . 37.5 m95 -63.89 -27.51 69.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 107.993 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -91.4 36.41 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 91.3 m -157.26 -48.7 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.404 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.564 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 96.9 m-85 -119.61 159.52 24.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 -121.87 174.87 6.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.54 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.612 HD21 ' CZ ' ' A' ' 92' ' ' PHE . 59.0 mt -104.38 112.56 25.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.589 HG21 ' HB ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -111.64 162.28 15.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.406 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.599 ' HB2' HG22 ' A' ' 90' ' ' VAL . 41.4 t -137.34 -53.22 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.971 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -171.96 70.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.59 -35.35 3.63 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -76.92 101.45 5.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 110.284 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.9 mttp -76.24 111.16 11.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.903 HD21 HD11 ' A' ' 84' ' ' ILE . 16.4 mt -71.84 88.89 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 74' ' ' GLU . 69.2 p -112.45 -72.77 0.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.424 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.485 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -41.1 136.36 1.57 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 110.338 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.53 -44.15 7.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -61.59 -22.08 64.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.448 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 9.5 tttt -79.5 141.47 36.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.09 145.11 25.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.409 HD21 ' HA ' ' A' ' 30' ' ' VAL . 52.1 mt -57.08 -33.15 67.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 20.3 ttt-85 -62.99 -42.07 99.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -67.93 -15.98 63.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.448 ' CD2' ' HG2' ' A' ' 77' ' ' LYS . 0.7 OUTLIER -88.75 -13.1 40.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 111.016 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 103.3 3.04 47.9 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.903 HD11 HD21 ' A' ' 72' ' ' LEU . 62.5 mt -87.97 152.81 3.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.498 0.763 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.93 -175.23 5.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.438 ' HA ' ' CB ' ' A' ' 8' ' ' MET . 25.4 t30 -43.65 158.26 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 86' ' ' ASN . 24.2 mtt180 37.44 67.77 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.279 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.588 ' OD1' HG22 ' A' ' 10' ' ' VAL . 2.2 p-10 -110.49 140.62 44.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -95.61 110.78 22.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.599 HG22 ' HB2' ' A' ' 67' ' ' SER . 5.5 t -118.86 151.72 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.95 161.35 38.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.612 ' CZ ' HD21 ' A' ' 65' ' ' LEU . 2.5 m-85 -88.95 143.17 27.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.589 ' HB ' HG21 ' A' ' 66' ' ' THR . 13.4 tt -125.33 159.29 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.564 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 1.9 tttt -108.13 130.94 55.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.508 ' CG ' HG23 ' A' ' 24' ' ' VAL . 2.3 ptm -150.83 154.89 38.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.749 . . . . 0.0 111.017 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.8 m -102.75 105.11 15.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 110.394 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.765 HG11 HD21 ' A' ' 33' ' ' LEU . 88.4 t -101.36 119.76 50.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.247 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -88.95 148.0 24.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.0 t -117.65 140.78 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.5 t -110.71 86.02 2.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 108.302 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 53.3 t . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.5 mtp -128.53 122.45 21.76 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 108.52 2.74 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.487 1.782 . . . . 0.0 111.045 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.901 HG21 HG12 ' A' ' 37' ' ' ILE . 70.7 t -101.82 152.65 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.591 ' O ' HG13 ' A' ' 24' ' ' VAL . 14.8 p -118.11 146.1 23.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.591 HG13 ' O ' ' A' ' 23' ' ' VAL . 3.5 m -157.08 172.3 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.453 HG23 ' N ' ' A' ' 28' ' ' ALA . 11.0 m -72.31 153.6 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.84 -21.29 7.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -129.7 56.26 1.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.173 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.462 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -85.23 174.07 9.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.659 ' C ' HD21 ' A' ' 79' ' ' LEU . 11.6 p -130.39 177.76 7.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.428 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.524 ' N ' HD21 ' A' ' 79' ' ' LEU . 93.6 t -51.51 -55.64 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 tp -48.04 -57.09 6.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -44.55 -56.41 4.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.765 HD21 HG11 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -39.98 -54.68 2.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.732 ' HG3' HD11 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -55.48 -54.39 44.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.25 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -47.9 -54.59 12.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.406 ' HB1' HG13 ' A' ' 22' ' ' VAL . . . -53.93 -66.73 0.34 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.901 HG12 HG21 ' A' ' 22' ' ' VAL . 85.8 mt -40.03 -34.52 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -75.54 -50.98 13.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.342 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.791 ' O ' HD23 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -64.02 -10.78 23.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -84.8 -39.02 18.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.1 t -93.85 -40.7 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.2 tm0? -57.92 -69.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.791 HD23 ' O ' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -44.19 -39.8 4.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.245 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.431 ' N ' HD12 ' A' ' 43' ' ' LEU . 1.7 ttpt -57.48 -65.17 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -47.42 -46.8 26.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 110.288 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 13.8 m95 -56.74 -50.75 71.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 107.968 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 61' ' ' ARG . 27.5 m -39.47 -59.31 1.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.027 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -58.33 -44.87 88.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 111.037 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 40.1 t -54.78 -60.27 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.45 ' CZ3' ' HG2' ' A' ' 34' ' ' LYS . 51.9 m95 -62.59 -31.2 71.99 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.453 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 0.2 OUTLIER -89.64 44.89 1.23 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.489 HG22 ' CD2' ' A' ' 63' ' ' TYR . 1.6 m -162.85 -50.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.412 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.561 ' CE1' ' HB2' ' A' ' 94' ' ' LYS . 80.1 m-85 -108.95 163.92 12.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -138.88 165.24 27.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.611 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.732 HD11 ' HG3' ' A' ' 34' ' ' LYS . 11.8 mt -93.25 138.26 31.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -132.37 165.59 23.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 110.401 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.479 ' HB3' HD11 ' A' ' 84' ' ' ILE . 1.2 t -164.83 133.28 3.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.982 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 67' ' ' SER . . . 68.9 -65.35 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 67' ' ' SER . . . 170.91 38.66 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -138.43 125.08 20.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.757 . . . . 0.0 110.282 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -64.93 112.69 3.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.533 HD23 ' CD1' ' A' ' 82' ' ' TYR . 8.3 mt -81.25 79.34 7.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 109.343 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.7 p -97.78 -50.62 4.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.61 135.3 23.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.88 -42.71 6.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -62.25 -14.11 35.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.404 ' O ' ' HB ' ' A' ' 29' ' ' THR . 19.9 tttt -87.96 131.9 34.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -77.64 150.12 34.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.659 HD21 ' C ' ' A' ' 29' ' ' THR . 16.9 mt -60.64 -42.21 96.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.498 1.123 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.61 -29.87 62.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.27 -14.72 59.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.533 ' CD1' HD23 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -96.8 -0.8 47.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.569 1.168 . . . . 0.0 110.993 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.93 -8.45 70.43 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.555 1.159 . . . . 0.0 111.004 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.479 HD11 ' HB3' ' A' ' 67' ' ' SER . 76.4 mt -78.02 126.73 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.767 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 29.9 mmt85 -125.53 -174.06 2.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 110.265 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -63.49 142.63 58.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 61.34 54.56 3.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.41 ' OD2' HG23 ' A' ' 84' ' ' ILE . 41.8 t0 -116.62 172.3 7.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -122.9 117.65 26.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.9 t -104.33 155.26 5.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.45 160.51 26.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.996 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.566 ' CZ ' HD21 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -109.07 124.25 50.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.973 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.1 tt -107.45 167.19 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.561 ' HB2' ' CE1' ' A' ' 63' ' ' TYR . 10.8 tttt -116.55 141.0 48.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.2 mttp . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.984 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.418 ' CB ' ' HA ' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -153.74 169.88 22.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 111.0 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -122.58 100.29 6.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.39 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.408 ' N ' ' O ' ' A' ' 22' ' ' VAL . 91.4 t -91.63 138.85 18.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.482 ' HB3' ' CG2' ' A' ' 19' ' ' VAL . 12.7 mtp85 -101.81 148.61 25.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.452 HG21 HG12 ' A' ' 37' ' ' ILE . 94.2 t -126.39 80.28 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.5 t -69.77 86.1 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 108.303 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.2 mtmt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.482 ' CG2' ' HB3' ' A' ' 11' ' ' ARG . 2.0 p . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.42 ' HB3' ' CE2' ' A' ' 40' ' ' TYR . 21.0 mtm -126.58 125.65 24.46 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 105.04 2.0 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 0.0 111.033 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.802 HG21 HG12 ' A' ' 37' ' ' ILE . 47.9 t -99.23 147.47 7.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.551 ' O ' HG13 ' A' ' 24' ' ' VAL . 71.9 t -115.83 147.96 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.551 HG13 ' O ' ' A' ' 23' ' ' VAL . 5.7 m -155.69 170.49 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.443 HG23 ' C ' ' A' ' 27' ' ' ASN . 34.0 m -63.82 155.26 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.04 -29.2 12.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.443 ' C ' HG23 ' A' ' 25' ' ' VAL . 2.0 m-80 -126.96 66.41 1.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.447 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -88.31 176.41 7.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 69.7 p -128.49 -173.81 3.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.443 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.506 HG21 ' O ' ' A' ' 74' ' ' GLU . 70.7 t -64.27 -44.31 97.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 31' ' ' LEU . 9.9 tp -55.04 -65.26 0.61 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.54 -56.13 2.66 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.769 HD12 HD13 ' A' ' 65' ' ' LEU . 0.3 OUTLIER -39.76 -65.88 0.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.528 ' HG2' ' CE3' ' A' ' 60' ' ' TRP . 1.4 mptp? -44.52 -63.44 0.9 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.85 -60.7 1.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.108 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.507 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -43.64 -65.75 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.802 HG12 HG21 ' A' ' 22' ' ' VAL . 71.1 mt -39.78 -37.46 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 109.284 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -77.07 -46.49 23.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.85 ' O ' HD23 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -68.27 -7.56 31.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.256 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.42 ' CE2' ' HB3' ' A' ' 20' ' ' MET . 69.1 t80 -86.52 -37.99 17.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.4 t -93.89 -39.28 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.41 -67.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.85 HD23 ' O ' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -47.71 -40.23 19.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.73 -65.29 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -47.96 -57.99 5.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 110.301 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.4 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -74.86 -45.83 40.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 107.993 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 61' ' ' ARG . 2.0 m -40.14 -60.98 0.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.966 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -45.4 -53.53 8.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.9 t -50.88 -52.56 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.528 ' CE3' ' HG2' ' A' ' 34' ' ' LYS . 73.4 m95 -64.58 -26.09 68.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 107.99 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 57' ' ' SER . 0.0 OUTLIER -93.13 19.36 8.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.277 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.444 HG22 ' CD2' ' A' ' 63' ' ' TYR . 1.4 m -140.48 -48.96 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.444 ' CD2' HG22 ' A' ' 62' ' ' THR . 98.7 m-85 -110.05 172.21 7.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -148.98 166.37 28.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.61 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.769 HD13 HD12 ' A' ' 33' ' ' LEU . 13.5 mt -93.86 131.87 38.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.6 HG22 ' O ' ' A' ' 91' ' ' SER . 1.1 t -106.58 171.83 7.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 110.381 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.885 ' HB3' HD21 ' A' ' 72' ' ' LEU . 8.8 t 171.25 143.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.003 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 67' ' ' SER . . . 39.98 60.89 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 39.26 35.88 0.51 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.111 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 67' ' ' SER . 0.6 OUTLIER -139.75 151.08 45.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 0.747 . . . . 0.0 110.318 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.94 135.7 33.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.885 HD21 ' HB3' ' A' ' 67' ' ' SER . 13.9 mt -95.3 87.94 4.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.4 p -111.99 -52.32 2.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 110.356 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.506 ' O ' HG21 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -48.31 128.44 14.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.56 -39.11 10.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.77 -25.12 68.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.44 1.088 . . . . 0.0 110.276 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -78.75 146.72 33.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -93.84 149.08 21.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 46.7 mt -56.4 -39.59 73.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -55.83 -42.62 75.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -61.87 -24.59 67.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -89.75 10.92 21.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.64 28.65 64.91 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.532 1.145 . . . . 0.0 110.959 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 10.7 mt -104.86 112.85 40.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 0.77 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -108.75 -174.44 2.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.256 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 87' ' ' ARG . 7.6 t30 -63.3 155.73 27.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.451 ' N ' ' OD1' ' A' ' 86' ' ' ASN . 15.0 mtt180 47.97 57.03 6.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.81 163.53 14.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -115.8 138.33 51.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.355 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.4 t -138.47 151.28 24.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.6 ' O ' HG22 ' A' ' 66' ' ' THR . 0.1 OUTLIER -126.33 166.28 17.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.023 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.545 ' CZ ' HD21 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -100.19 140.75 33.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.992 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.7 tt -114.89 160.08 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -105.81 135.11 47.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.435 ' SD ' ' CG2' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -142.26 -178.23 5.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 0.788 . . . . 0.0 111.043 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -128.46 100.08 5.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.41 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.686 HG11 HD21 ' A' ' 33' ' ' LEU . 92.7 t -96.89 116.37 38.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.458 ' HB3' ' CG2' ' A' ' 19' ' ' VAL . 26.4 mtt-85 -86.79 141.81 28.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 110.274 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.82 HG21 ' CD1' ' A' ' 37' ' ' ILE . 73.0 t -120.99 86.61 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 14' ' ' LYS . 4.3 m -69.38 83.36 0.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 108.296 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 13' ' ' CYS . 47.9 mtmt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' ' 11' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.473 ' HB3' ' CE2' ' A' ' 40' ' ' TYR . 25.4 mtm -118.48 123.34 29.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 105.53 2.1 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.797 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.988 HG21 HG12 ' A' ' 37' ' ' ILE . 47.2 t -100.81 150.1 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.457 ' O ' HG13 ' A' ' 24' ' ' VAL . 70.3 t -116.91 147.0 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 23' ' ' VAL . 21.4 m -154.17 165.33 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.42 HG23 ' C ' ' A' ' 27' ' ' ASN . 20.5 m -58.44 155.64 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -55.48 -18.23 6.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.279 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.42 ' C ' HG23 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -135.12 63.88 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.448 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -90.78 175.44 7.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.409 HG22 ' CG ' ' A' ' 78' ' ' LYS . 38.4 p -129.43 -176.82 4.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.387 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.522 HG21 ' O ' ' A' ' 74' ' ' GLU . 55.3 t -58.52 -42.18 83.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.1 tp -58.03 -64.94 0.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -40.27 -55.35 2.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.813 HD12 HD13 ' A' ' 65' ' ' LEU . 0.3 OUTLIER -40.19 -58.04 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -51.97 -61.47 2.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.25 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -41.37 -52.93 3.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.637 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -53.49 -67.93 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.988 HG12 HG21 ' A' ' 22' ' ' VAL . 86.3 mt -39.62 -33.4 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.402 ' N ' ' C ' ' A' ' 36' ' ' ALA . 8.8 mt-30 -76.42 -56.57 4.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.265 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.714 ' O ' HD23 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -59.83 -14.21 13.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.473 ' CE2' ' HB3' ' A' ' 20' ' ' MET . 93.5 t80 -77.12 -48.78 16.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.5 t -87.08 -48.3 15.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -46.74 -59.46 3.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.326 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.753 HD12 ' C ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -57.28 -39.99 76.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -51.14 -72.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -44.78 -49.28 10.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 0.0 110.293 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.3 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.443 ' HB3' ' CD1' ' A' ' 60' ' ' TRP . 22.4 m95 -55.26 -34.2 63.84 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 61' ' ' ARG . 39.4 m -50.21 -56.85 9.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.967 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -57.39 -49.22 76.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.6 t -52.37 -64.14 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.443 ' CD1' ' HB3' ' A' ' 56' ' ' TRP . 64.9 m95 -57.36 -26.81 61.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 108.009 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.412 ' O ' ' CG ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -95.78 35.14 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 64.3 m -156.54 -45.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.426 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.558 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 95.0 m-85 -122.57 147.81 45.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -118.77 175.71 5.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.622 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.813 HD13 HD12 ' A' ' 33' ' ' LEU . 42.0 mt -99.52 132.35 44.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.527 HG22 ' O ' ' A' ' 91' ' ' SER . 1.0 OUTLIER -122.6 169.72 10.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.707 ' HB2' HG22 ' A' ' 90' ' ' VAL . 1.0 OUTLIER -178.03 132.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.002 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 67' ' ' SER . . . 69.43 -64.69 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 67' ' ' SER . . . 169.58 39.66 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -143.22 133.49 24.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 110.273 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 61.7 mttt -72.14 113.76 9.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.774 HD23 ' CE1' ' A' ' 82' ' ' TYR . 14.3 mt -78.12 87.98 4.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.7 p -114.78 -52.51 2.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.452 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.522 ' O ' HG21 ' A' ' 30' ' ' VAL . 0.4 OUTLIER -48.03 124.2 7.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.338 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.63 -42.28 11.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.15 -32.37 68.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -74.36 147.02 42.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.409 ' CG ' HG22 ' A' ' 29' ' ' THR . 0.0 OUTLIER -97.93 150.57 21.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.7 mt -55.4 -37.64 67.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -59.12 -43.4 91.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.58 -11.93 61.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.774 ' CE1' HD23 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -90.84 -7.23 52.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.976 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 99.11 -5.88 59.53 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.517 1.135 . . . . 0.0 111.022 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.502 ' CG2' ' CG ' ' A' ' 88' ' ' ASP . 20.3 mt -81.55 148.99 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.71 -175.36 4.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -57.31 130.39 46.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 18.8 mtm180 65.15 73.3 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.322 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.515 ' OD1' HG22 ' A' ' 10' ' ' VAL . 6.2 p-10 -120.94 -175.6 3.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -128.11 115.99 19.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.707 HG22 ' HB2' ' A' ' 67' ' ' SER . 3.2 t -119.94 150.55 22.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.527 ' O ' HG22 ' A' ' 66' ' ' THR . 0.0 OUTLIER -136.62 166.59 23.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.958 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.557 ' CZ ' HD21 ' A' ' 65' ' ' LEU . 1.2 m-85 -100.51 127.28 46.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 63' ' ' TYR . 3.2 tt -107.7 166.49 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.558 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 35.0 tttt -109.77 134.64 51.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.6 mttp . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.359 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.456 ' SD ' ' CG2' ' A' ' 24' ' ' VAL . 0.6 OUTLIER -147.33 173.08 12.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 0.76 . . . . 0.0 110.972 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -124.5 98.15 5.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.444 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.536 HG22 ' OD1' ' A' ' 88' ' ' ASP . 89.1 t -92.2 122.65 43.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.517 ' HB3' HG21 ' A' ' 19' ' ' VAL . 5.3 mtt180 -86.87 145.73 26.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 70.9 t -118.97 79.08 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 14' ' ' LYS . 28.6 t -68.49 88.16 0.33 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 108.297 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 13' ' ' CYS . 3.8 mtmt . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.517 HG21 ' HB3' ' A' ' 11' ' ' ARG . 3.1 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.8 mtp -113.97 122.74 34.09 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 109.45 2.93 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.508 1.794 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.87 HG21 HG12 ' A' ' 37' ' ' ILE . 67.5 t -102.17 149.63 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.451 ' C ' HG13 ' A' ' 24' ' ' VAL . 54.1 t -114.3 143.4 24.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.456 ' CG2' ' SD ' ' A' ' 8' ' ' MET . 35.1 m -154.81 159.29 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.633 HG22 ' HB2' ' A' ' 28' ' ' ALA . 25.7 m -48.49 156.66 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -17.2 13.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.521 ' C ' HG23 ' A' ' 25' ' ' VAL . 54.9 m-20 -137.72 62.62 1.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.633 ' HB2' HG22 ' A' ' 25' ' ' VAL . . . -89.04 176.05 7.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.483 ' C ' HD21 ' A' ' 79' ' ' LEU . 20.9 p -131.01 -176.09 3.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.432 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.435 ' N ' HD21 ' A' ' 79' ' ' LEU . 46.7 t -55.12 -47.29 77.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.1 tp -54.97 -62.38 1.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.448 ' HB3' ' HB1' ' A' ' 28' ' ' ALA . 3.7 t70 -40.46 -58.24 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.672 ' CD1' HD11 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -40.76 -58.26 1.7 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.535 ' HG3' HD11 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -54.62 -45.42 73.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -58.45 -37.47 75.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.531 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -67.57 -70.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.87 HG12 HG21 ' A' ' 22' ' ' VAL . 55.0 mt -39.97 -31.06 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.422 ' N ' ' C ' ' A' ' 36' ' ' ALA . 4.6 mt-30 -70.17 -56.69 6.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.772 ' O ' HD23 ' A' ' 43' ' ' LEU . 1.2 mpt_? -69.04 -6.57 28.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -86.58 -38.52 17.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 91.8 t -94.28 -38.4 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -61.32 -67.7 0.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.336 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.777 HD12 ' C ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -42.68 -38.8 2.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.41 ' N ' HD12 ' A' ' 43' ' ' LEU . 2.3 tttp -60.5 -71.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -44.07 -36.82 2.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.267 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.528 ' O ' HG23 ' A' ' 59' ' ' VAL . 21.6 p . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 26.8 m95 -64.82 -35.79 82.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 108.011 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.456 ' O ' ' CB ' ' A' ' 61' ' ' ARG . 0.2 OUTLIER -47.09 -59.36 3.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.969 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -64.1 -49.28 72.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 110.967 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 55' ' ' SER . 54.9 t -46.89 -66.67 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.432 ' CZ3' ' HG2' ' A' ' 34' ' ' LYS . 44.7 m95 -57.39 -37.94 73.48 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.456 ' CB ' ' O ' ' A' ' 57' ' ' SER . 0.3 OUTLIER -88.48 43.64 1.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.264 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.2 m -157.52 -46.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 110.359 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.487 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 96.7 m-85 -124.06 168.89 12.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -138.19 176.12 8.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.598 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.535 HD11 ' HG3' ' A' ' 34' ' ' LYS . 21.9 mt -101.7 134.28 45.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.246 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.13 168.61 15.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.396 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.714 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 0.2 OUTLIER 176.3 126.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.025 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.714 ' HB3' ' O ' ' A' ' 67' ' ' SER . . . 85.21 -47.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.251 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 157.02 -23.56 0.47 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.78 160.7 22.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 0.759 . . . . 0.0 110.358 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -97.81 118.81 35.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.1 mt -74.88 85.64 2.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.4 p -116.21 -8.8 11.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.145 . . . . 0.0 110.399 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.416 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 1.5 mp0 -89.67 109.12 20.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.291 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -76.8 -27.52 55.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.5 mmt85 -81.88 -20.41 38.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.518 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 9.5 tttt -84.67 124.68 31.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.412 ' CG ' HG22 ' A' ' 29' ' ' THR . 5.0 mttt -73.79 151.07 40.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.483 HD21 ' C ' ' A' ' 29' ' ' THR . 17.2 mt -59.83 -39.27 84.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -59.77 -41.65 91.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -64.53 -18.15 64.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.518 ' CD2' ' HG2' ' A' ' 77' ' ' LYS . 0.8 OUTLIER -92.99 -1.18 56.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 91.29 8.35 64.51 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.545 1.153 . . . . 0.0 111.027 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.508 ' CG2' ' CG ' ' A' ' 88' ' ' ASP . 47.6 mt -93.15 111.41 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.76 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -102.4 -175.0 2.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.152 . . . . 0.0 110.273 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -66.1 144.65 56.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.77 32.71 6.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.345 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.536 ' OD1' HG22 ' A' ' 10' ' ' VAL . 4.7 p-10 -85.87 -173.45 4.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -137.65 120.12 15.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.475 HG22 ' HB2' ' A' ' 67' ' ' SER . 2.8 t -115.8 149.98 17.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.27 168.99 13.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.017 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.525 ' CE1' ' CD2' ' A' ' 65' ' ' LEU . 0.4 OUTLIER -107.34 130.23 54.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.969 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.8 tt -107.09 163.24 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.487 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 7.0 tttt -110.77 131.13 55.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.86 -176.91 6.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 111.063 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -125.38 100.08 6.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.385 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.721 HG11 HD21 ' A' ' 33' ' ' LEU . 88.4 t -98.42 109.55 24.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.463 ' HB3' HG13 ' A' ' 19' ' ' VAL . 80.4 mtt180 -79.62 116.21 19.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.47 HG21 HD13 ' A' ' 37' ' ' ILE . 4.2 p -91.77 143.49 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.3 t -111.75 93.22 4.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 108.306 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.958 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.463 HG13 ' HB3' ' A' ' 11' ' ' ARG . 55.1 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.401 ' HB2' HG12 ' A' ' 12' ' ' VAL . 4.3 mtp -123.92 122.32 26.31 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 107.66 2.54 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.501 1.79 . . . . 0.0 110.947 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.811 HG21 HG12 ' A' ' 37' ' ' ILE . 79.3 t -101.55 148.98 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 109.364 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.595 ' O ' HG13 ' A' ' 24' ' ' VAL . 13.1 p -115.56 147.42 18.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.713 HG12 ' OD1' ' A' ' 32' ' ' ASP . 16.0 m -157.61 166.18 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.453 HG23 ' C ' ' A' ' 27' ' ' ASN . 32.7 m -65.11 152.95 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.2 -27.44 8.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.453 ' C ' HG23 ' A' ' 25' ' ' VAL . 19.1 m-20 -124.6 59.21 1.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.474 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -85.58 175.87 8.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.584 ' C ' HD21 ' A' ' 79' ' ' LEU . 18.8 p -131.08 178.89 6.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.377 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.477 ' N ' HD21 ' A' ' 79' ' ' LEU . 73.9 t -53.89 -48.52 62.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.611 HD22 ' CE ' ' A' ' 35' ' ' LYS . 1.2 mt -54.08 -54.16 43.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.713 ' OD1' HG12 ' A' ' 24' ' ' VAL . 7.7 t70 -46.61 -54.36 9.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.752 HD12 HD13 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -40.17 -53.15 2.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.559 ' HG2' ' CZ3' ' A' ' 60' ' ' TRP . 1.0 OUTLIER -63.29 -55.63 23.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.611 ' CE ' HD22 ' A' ' 31' ' ' LEU . 39.4 mttt -49.49 -27.1 3.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.521 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -78.74 -67.07 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.811 HG12 HG21 ' A' ' 22' ' ' VAL . 58.9 mt -40.64 -29.81 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.439 ' N ' ' C ' ' A' ' 36' ' ' ALA . 7.5 mt-30 -76.97 -49.3 15.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 36' ' ' ALA . 24.7 mmt180 -68.24 -6.72 25.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.428 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 5.1 t80 -85.64 -39.11 17.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.7 t -94.92 -43.3 12.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.8 -70.8 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 mt -52.19 -59.45 4.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 40' ' ' TYR . 82.7 tttt -40.52 -63.97 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -47.29 -51.32 19.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.587 1.179 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.323 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -48.0 -37.95 15.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 107.998 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -42.87 -61.58 1.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.996 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.534 ' CE1' ' OG1' ' A' ' 62' ' ' THR . 27.8 t80 -62.73 -42.52 99.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 111.038 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 54.4 t -47.35 -53.62 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.559 ' CZ3' ' HG2' ' A' ' 34' ' ' LYS . 29.1 m95 -68.88 -27.14 65.53 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.57 26.64 2.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.345 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.639 HG22 ' CD2' ' A' ' 63' ' ' TYR . 1.2 m -150.65 -47.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.438 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.639 ' CD2' HG22 ' A' ' 62' ' ' THR . 97.1 m-85 -113.2 160.29 18.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.949 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.561 ' HB2' HG23 ' A' ' 93' ' ' ILE . 61.4 m-70 -126.73 177.43 6.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.606 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.752 HD13 HD12 ' A' ' 33' ' ' LEU . 31.4 mt -108.4 117.14 33.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.418 ' O ' HG13 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -115.43 162.97 16.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.39 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.6 t -133.5 -61.74 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.008 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -162.26 73.51 0.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.76 -36.07 3.52 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.512 1.133 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -80.74 117.03 21.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.763 . . . . 0.0 110.238 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.483 ' HE2' HD13 ' A' ' 93' ' ' ILE . 39.8 mttt -82.57 115.78 21.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.567 HD21 HD11 ' A' ' 84' ' ' ILE . 13.7 mt -76.98 92.0 3.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 76.0 p -120.08 -58.54 1.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.87 121.65 4.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.337 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.437 ' HB3' ' CG ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -91.62 -38.85 12.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -63.1 -12.22 25.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.26 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -97.06 138.61 34.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.098 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -81.45 154.04 26.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.584 HD21 ' C ' ' A' ' 29' ' ' THR . 19.6 mt -63.74 -41.45 98.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -59.31 -24.15 63.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.262 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.58 -8.57 59.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -106.59 -1.4 22.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 98.72 -11.74 62.77 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.567 HD11 HD21 ' A' ' 72' ' ' LEU . 73.1 mt -76.57 124.17 34.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 85' ' ' ARG . 5.6 mmm180 -124.47 -175.49 3.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.324 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -59.37 144.88 45.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.98 57.23 1.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -118.73 172.36 7.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -132.81 110.63 10.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.418 HG13 ' O ' ' A' ' 66' ' ' THR . 3.9 t -103.24 149.09 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -120.45 168.68 11.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.012 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.538 ' CZ ' HD21 ' A' ' 65' ' ' LEU . 3.5 m-85 -101.2 163.05 12.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.105 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.561 HG23 ' HB2' ' A' ' 64' ' ' HIS . 7.6 tt -143.42 155.77 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.7 tttt -107.69 136.22 47.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -147.97 170.68 17.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 111.027 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -120.81 95.5 4.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.396 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.829 HG11 HD21 ' A' ' 33' ' ' LEU . 91.1 t -87.31 112.6 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.463 ' HB3' ' CG2' ' A' ' 19' ' ' VAL . 41.1 mtt180 -84.18 134.05 34.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.351 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.691 HG21 HD11 ' A' ' 37' ' ' ILE . 61.8 t -117.49 91.28 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 14' ' ' LYS . 3.5 m -74.35 84.77 1.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 108.268 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 13' ' ' CYS . 35.1 mtmt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.463 ' CG2' ' HB3' ' A' ' 11' ' ' ARG . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.441 ' HB3' ' CZ ' ' A' ' 40' ' ' TYR . 1.2 mtp -113.28 123.05 34.14 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 107.26 2.44 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.498 1.788 . . . . 0.0 110.955 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.901 HG21 HG12 ' A' ' 37' ' ' ILE . 45.7 t -103.34 146.88 10.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.3 t -117.2 142.13 32.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.462 ' HB ' ' CB ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -145.9 -176.18 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.458 HG23 ' C ' ' A' ' 27' ' ' ASN . 34.1 m -81.64 146.1 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -44.8 -27.92 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.458 ' C ' HG23 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -122.82 60.81 1.02 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.462 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -92.93 170.49 9.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 29.4 p -130.91 -176.27 3.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.412 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 74' ' ' GLU . 48.2 t -57.01 -41.75 77.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 tp -54.52 -68.34 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.6 OUTLIER -42.87 -47.84 5.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.829 HD21 HG11 ' A' ' 10' ' ' VAL . 0.6 OUTLIER -38.76 -70.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.562 ' HG2' ' CE3' ' A' ' 60' ' ' TRP . 0.8 OUTLIER -49.45 -56.38 9.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -42.2 -42.93 3.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.621 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -67.36 -67.63 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.901 HG12 HG21 ' A' ' 22' ' ' VAL . 96.8 mt -39.81 -30.76 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.437 ' N ' ' C ' ' A' ' 36' ' ' ALA . 9.2 mt-30 -76.1 -49.68 16.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.806 ' O ' HD23 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -67.67 -8.1 32.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.332 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.473 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 2.8 t80 -85.17 -39.19 18.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.9 t -93.49 -41.6 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.38 -68.86 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.806 HD23 ' O ' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -43.47 -41.13 4.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.461 ' N ' HD12 ' A' ' 43' ' ' LEU . 6.4 ttpt -60.9 -70.76 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.25 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -44.45 -52.54 7.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.325 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.491 ' HB3' ' CD1' ' A' ' 60' ' ' TRP . 24.5 m95 -52.65 -46.79 67.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 107.996 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.06 -60.23 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.938 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -62.46 -52.33 63.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 47.8 t -47.63 -49.24 10.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.562 ' CE3' ' HG2' ' A' ' 34' ' ' LYS . 41.9 m95 -68.12 -31.94 71.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 107.986 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.59 39.95 0.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.34 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 83.8 m -155.2 -48.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.417 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.475 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 80.1 m-85 -116.9 153.7 32.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.812 ' ND1' HG22 ' A' ' 73' ' ' THR . 96.4 m-70 -129.89 170.23 14.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.603 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.683 ' HG ' HD12 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -89.25 113.32 24.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.323 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.617 HG22 ' O ' ' A' ' 91' ' ' SER . 0.0 OUTLIER -105.81 161.97 13.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 110.399 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.598 ' HB2' HG22 ' A' ' 90' ' ' VAL . 46.7 t -158.09 -76.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.006 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.69 31.14 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.98 -27.61 7.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.09 116.59 18.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 0.756 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.433 ' HG2' HG21 ' A' ' 93' ' ' ILE . 40.2 mttt -66.74 112.35 4.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.716 HD21 HD11 ' A' ' 84' ' ' ILE . 4.8 mt -72.24 98.76 2.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.812 HG22 ' ND1' ' A' ' 64' ' ' HIS . 40.9 p -122.05 -42.74 2.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.41 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.491 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 2.2 mm-40 -54.32 116.93 2.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -78.61 -24.7 45.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.4 mmt85 -79.17 -28.54 42.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.465 ' HG2' ' CE2' ' A' ' 82' ' ' TYR . 22.6 tttt -81.78 120.82 25.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -69.32 155.94 39.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.539 HD11 HD23 ' A' ' 33' ' ' LEU . 83.0 mt -63.0 -33.24 74.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.44 -32.81 73.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.44 1.087 . . . . 0.0 110.309 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -65.96 -24.41 66.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.515 ' CD1' HD23 ' A' ' 72' ' ' LEU . 9.2 m-85 -88.68 -7.02 57.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.21 23.72 21.38 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.716 HD11 HD21 ' A' ' 72' ' ' LEU . 12.4 mt -100.52 116.9 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.764 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 51.7 mmt-85 -113.84 -175.37 2.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.404 ' OD1' ' C ' ' A' ' 86' ' ' ASN . 4.6 t-20 -60.46 138.37 58.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 109.305 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.6 mtt85 63.95 62.03 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.42 ' CG ' HG23 ' A' ' 84' ' ' ILE . 8.1 t70 -110.77 174.87 5.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -123.04 108.93 13.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.318 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.598 HG22 ' HB2' ' A' ' 67' ' ' SER . 5.7 t -114.07 157.84 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.617 ' O ' HG22 ' A' ' 66' ' ' THR . 0.6 OUTLIER -146.61 164.92 31.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.004 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -96.91 119.94 36.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.611 ' HB ' HG21 ' A' ' 66' ' ' THR . 20.3 tt -106.48 159.16 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.475 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 7.4 tttt -101.47 128.45 47.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.408 ' HD2' ' NE2' ' A' ' 64' ' ' HIS . 43.8 mtpt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.417 ' CA ' ' O ' ' A' ' 24' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.415 ' HA ' ' OD1' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -146.08 175.53 10.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 111.027 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -120.26 95.55 4.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.404 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.436 HG11 HD21 ' A' ' 33' ' ' LEU . 64.9 t -86.91 119.35 34.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.536 ' HB3' HG11 ' A' ' 19' ' ' VAL . 8.3 mtt-85 -92.13 108.77 20.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.57 HG13 ' CD1' ' A' ' 92' ' ' PHE . 41.1 t -74.16 136.6 24.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.475 ' CB ' ' HA ' ' A' ' 91' ' ' SER . 0.1 OUTLIER -106.4 79.75 1.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 108.305 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.7 mtmt . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.974 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.536 HG11 ' HB3' ' A' ' 11' ' ' ARG . 78.9 t . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.3 mtp -122.86 122.33 27.12 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 108.4 2.71 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.472 1.775 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.849 HG21 HG12 ' A' ' 37' ' ' ILE . 60.1 t -103.77 146.19 11.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.1 t -114.1 139.88 37.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.417 ' O ' ' CA ' ' A' ' 7' ' ' GLY . 3.1 m -149.41 176.66 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.455 HG23 ' C ' ' A' ' 27' ' ' ASN . 31.5 m -79.3 144.68 10.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -43.27 -26.57 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.302 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.455 ' C ' HG23 ' A' ' 25' ' ' VAL . 6.5 p30 -128.12 65.29 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -92.34 177.26 6.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 72.7 p -131.15 -175.86 3.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.402 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.552 ' HA ' HD21 ' A' ' 79' ' ' LEU . 98.7 t -58.18 -40.96 79.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 tp -56.73 -64.92 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -41.8 -52.88 3.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.714 HD23 ' CD1' ' A' ' 79' ' ' LEU . 0.6 OUTLIER -38.16 -71.66 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.693 ' HG3' HD21 ' A' ' 65' ' ' LEU . 0.3 OUTLIER -50.46 -53.97 25.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -43.56 -50.01 7.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.479 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -60.49 -68.44 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.849 HG12 HG21 ' A' ' 22' ' ' VAL . 95.9 mt -39.05 -32.62 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.415 ' N ' ' C ' ' A' ' 36' ' ' ALA . 4.3 mt-30 -77.05 -50.04 13.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 110.288 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 36' ' ' ALA . 1.3 tpm_? -67.58 -6.71 21.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.427 ' O ' ' CB ' ' A' ' 44' ' ' LYS . 6.9 t80 -86.73 -38.96 16.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.1 t -94.85 -41.34 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -70.89 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 43' ' ' LEU . 3.8 mt -51.93 -59.27 4.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 40' ' ' TYR . 53.6 tttt -41.48 -65.29 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -47.54 -47.82 27.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.306 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.262 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.468 ' O ' HG23 ' A' ' 59' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 54.6 m95 -60.53 -34.5 74.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 108.019 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.26 -58.52 5.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.968 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.469 ' CD1' ' C ' ' A' ' 58' ' ' TYR . 1.6 t80 -60.39 -35.59 76.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 55' ' ' SER . 79.1 t -62.06 -64.65 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.557 ' CE3' ' HG2' ' A' ' 34' ' ' LYS . 48.9 m95 -58.1 -24.31 58.16 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.568 1.167 . . . . 0.0 108.021 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -91.21 32.44 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 53.5 m -151.87 -45.52 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.408 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.496 ' CE1' ' HB2' ' A' ' 94' ' ' LYS . 94.3 m-85 -116.43 167.9 10.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.404 ' C ' HD13 ' A' ' 65' ' ' LEU . 74.1 m-70 -147.1 166.16 27.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.581 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.693 HD21 ' HG3' ' A' ' 34' ' ' LYS . 0.2 OUTLIER -88.63 118.16 28.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.532 ' O ' HG13 ' A' ' 90' ' ' VAL . 0.5 OUTLIER -116.14 165.06 13.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.429 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.5 t -143.59 -71.11 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.973 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.24 56.59 1.84 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.26 -34.02 3.92 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.547 1.154 . . . . 0.0 110.977 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.481 ' HB3' ' CD1' ' A' ' 82' ' ' TYR . 1.2 mt-10 -67.18 99.52 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -69.81 110.5 4.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.879 HD21 HD11 ' A' ' 84' ' ' ILE . 11.3 mt -66.88 87.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 79.1 p -118.11 -38.45 3.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.428 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.48 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.7 OUTLIER -62.81 114.43 3.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.341 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -77.34 -32.16 54.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -73.81 -26.67 60.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.469 ' HG2' ' CE2' ' A' ' 82' ' ' TYR . 11.9 tttt -80.06 137.85 36.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.49 152.75 23.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.714 ' CD1' HD23 ' A' ' 33' ' ' LEU . 25.1 mt -66.18 -33.23 75.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -63.38 -38.45 91.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.37 -20.85 66.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.481 ' CD1' ' HB3' ' A' ' 70' ' ' GLU . 5.9 m-85 -91.07 11.1 24.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 77.07 19.88 76.6 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.879 HD11 HD21 ' A' ' 72' ' ' LEU . 21.0 mt -99.84 104.25 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 0.76 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -100.91 -174.41 2.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.415 ' OD1' ' HA ' ' A' ' 8' ' ' MET . 5.6 t30 -66.16 154.93 38.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.51 40.88 31.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.364 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -102.3 158.56 16.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -113.55 112.14 23.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' ' 66' ' ' THR . 25.4 t -97.76 147.72 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.475 ' HA ' ' CB ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -110.49 168.52 9.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.994 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.57 ' CD1' HG13 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -113.81 132.85 55.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 63' ' ' TYR . 12.5 tt -124.14 152.85 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.496 ' HB2' ' CE1' ' A' ' 63' ' ' TYR . 4.2 ttmt -105.05 133.86 49.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.332 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.0 175.81 9.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -121.01 104.41 9.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.432 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.563 ' HB ' HD21 ' A' ' 33' ' ' LEU . 87.1 t -99.96 109.94 25.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.458 ' HB3' ' CG2' ' A' ' 19' ' ' VAL . 4.3 mtt180 -78.91 137.9 37.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.342 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.527 HG21 ' CD1' ' A' ' 37' ' ' ILE . 53.2 t -120.16 88.94 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 14' ' ' LYS . 8.8 t -70.89 83.33 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 108.291 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 13' ' ' CYS . 56.7 mtmt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' ' 11' ' ' ARG . 1.5 p . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.5 mtp -130.96 122.74 19.53 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 110.944 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 106.6 2.31 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.526 1.803 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.831 HG21 HG12 ' A' ' 37' ' ' ILE . 56.9 t -102.43 148.43 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.49 ' O ' HG13 ' A' ' 24' ' ' VAL . 12.1 p -114.13 145.55 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.49 HG13 ' O ' ' A' ' 23' ' ' VAL . 15.7 m -154.51 167.05 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.47 HG22 ' HB2' ' A' ' 28' ' ' ALA . 17.0 m -61.28 154.73 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -53.67 -19.64 4.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.407 ' C ' HG23 ' A' ' 25' ' ' VAL . 36.5 p30 -135.3 66.05 1.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.47 ' HB2' HG22 ' A' ' 25' ' ' VAL . . . -95.43 166.97 11.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.8 p -113.93 -174.0 2.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.422 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.778 HG12 ' HE2' ' A' ' 34' ' ' LYS . 88.7 t -60.48 -64.65 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.426 HD21 ' HE3' ' A' ' 35' ' ' LYS . 19.3 tp -40.86 -58.25 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 31' ' ' LEU . 0.8 OUTLIER -39.51 -59.9 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.337 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.799 ' CD1' HD11 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -45.29 -48.76 12.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.778 ' HE2' HG12 ' A' ' 30' ' ' VAL . 25.9 mtmt -59.68 -44.95 93.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.426 ' HE3' HD21 ' A' ' 31' ' ' LEU . 32.5 mttt -57.5 -50.79 71.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.403 ' CB ' ' CG1' ' A' ' 22' ' ' VAL . . . -56.37 -62.34 1.79 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.831 HG12 HG21 ' A' ' 22' ' ' VAL . 61.9 mt -39.82 -33.2 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -76.97 -54.03 7.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.981 ' O ' HD23 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -63.51 -11.4 23.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.323 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.483 ' HD1' HG23 ' A' ' 41' ' ' VAL . 56.1 t80 -82.23 -40.29 21.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.483 HG23 ' HD1' ' A' ' 40' ' ' TYR . 72.8 t -94.34 -44.79 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.238 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.04 -62.39 1.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.981 HD23 ' O ' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -53.84 -42.16 68.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.409 ' N ' ' HG ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -50.89 -68.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.35 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -53.05 -49.79 65.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 0.0 110.327 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.494 ' HB3' ' CD1' ' A' ' 60' ' ' TRP . 65.4 m95 -74.78 -40.72 61.0 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.021 -1.104 . . . . 0.0 108.021 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.25 -58.75 1.72 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.951 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -56.34 -57.13 13.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 71.2 t -45.78 -57.18 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.559 ' CZ3' ' HG2' ' A' ' 34' ' ' LYS . 47.7 m95 -59.46 -34.46 72.57 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.21 38.5 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.6 m -155.07 -50.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 110.414 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -114.66 148.71 37.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -120.89 168.66 11.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.558 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.555 HD11 ' HG2' ' A' ' 34' ' ' LYS . 13.7 mt -93.1 128.73 39.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.631 HG22 ' O ' ' A' ' 91' ' ' SER . 1.1 t -106.43 170.04 8.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.354 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.688 ' HB3' HD11 ' A' ' 72' ' ' LEU . 4.8 t 170.39 143.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 110.03 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 46.8 32.94 1.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 58.18 34.79 74.81 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -135.75 118.88 16.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.752 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.566 ' HE2' HD13 ' A' ' 93' ' ' ILE . 9.4 mmtt -58.02 128.43 37.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.688 HD11 ' HB3' ' A' ' 67' ' ' SER . 13.0 mt -97.99 81.3 2.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.3 p -95.99 -47.71 6.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.436 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.491 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.6 OUTLIER -52.4 135.25 33.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.346 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.42 ' HB3' ' HB2' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -98.8 -42.97 6.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.35 -19.84 65.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.255 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.453 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 1.0 OUTLIER -76.91 127.22 32.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.13 147.84 40.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 32.8 mt -58.54 -34.57 71.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 22.4 ttt-85 -62.64 -37.42 86.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.309 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.16 -12.71 61.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.632 ' CE1' HD23 ' A' ' 72' ' ' LEU . 1.2 m-85 -97.05 9.36 42.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 81.55 11.78 82.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.712 HG23 ' OD2' ' A' ' 88' ' ' ASP . 34.3 mt -88.42 152.97 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 109.329 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.449 ' NH1' ' CG ' ' A' ' 88' ' ' ASP . 0.0 OUTLIER -148.05 -175.47 4.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -63.71 132.0 49.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 68.46 73.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 0.0 110.313 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.712 ' OD2' HG23 ' A' ' 84' ' ' ILE . 43.5 t0 -123.86 174.49 7.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -121.88 112.44 18.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.511 HG22 ' HB2' ' A' ' 67' ' ' SER . 4.1 t -115.64 158.86 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.631 ' O ' HG22 ' A' ' 66' ' ' THR . 0.3 OUTLIER -148.58 166.94 26.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.444 ' CE1' ' CD2' ' A' ' 65' ' ' LEU . 2.7 m-85 -97.06 140.64 31.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.566 HD13 ' HE2' ' A' ' 71' ' ' LYS . 9.1 tt -127.89 155.63 39.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -99.9 144.0 29.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.994 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.5 ' CG ' HG23 ' A' ' 24' ' ' VAL . 2.1 ptm -158.74 154.34 26.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 0.773 . . . . 0.0 110.97 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.4 m -100.77 107.36 18.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.411 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.699 HG11 HD21 ' A' ' 33' ' ' LEU . 82.2 t -105.96 127.08 61.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.682 ' HB3' HG13 ' A' ' 19' ' ' VAL . 11.3 mtt-85 -90.34 149.29 22.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.515 HG21 ' CD1' ' A' ' 37' ' ' ILE . 90.2 t -130.71 126.56 60.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 15.9 t -90.5 85.77 6.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 108.268 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.356 179.951 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.682 HG13 ' HB3' ' A' ' 11' ' ' ARG . 98.0 t . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 7.3 mtp -117.61 122.38 30.88 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 108.33 2.69 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.495 1.787 . . . . 0.0 111.023 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.924 HG21 HG12 ' A' ' 37' ' ' ILE . 90.0 t -102.86 151.82 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.5 t -115.51 136.88 50.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.5 HG23 ' CG ' ' A' ' 8' ' ' MET . 19.7 m -149.32 163.1 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.537 HG23 ' C ' ' A' ' 27' ' ' ASN . 23.7 m -62.72 149.79 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -49.44 -22.56 1.21 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.142 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.537 ' C ' HG23 ' A' ' 25' ' ' VAL . 8.1 m120 -132.31 60.54 1.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.502 ' HB2' HG22 ' A' ' 25' ' ' VAL . . . -84.67 178.35 7.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.9 p -129.23 -175.92 3.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.435 ' CG2' ' O ' ' A' ' 74' ' ' GLU . 69.1 t -57.44 -56.82 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.36 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.4 tp -50.66 -55.52 16.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -42.61 -58.97 2.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.747 ' CD1' HD11 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -40.24 -50.23 2.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.549 ' HG2' ' CZ3' ' A' ' 60' ' ' TRP . 1.5 mttp -59.82 -56.83 16.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -44.98 -48.5 11.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 39' ' ' ARG . . . -59.02 -67.13 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.248 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.924 HG12 HG21 ' A' ' 22' ' ' VAL . 78.5 mt -40.52 -30.16 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.422 ' N ' ' C ' ' A' ' 36' ' ' ALA . 3.0 mt-30 -74.64 -49.97 19.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.28 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.777 ' O ' HD23 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -64.84 -10.55 29.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 0.0 110.312 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.415 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 5.4 t80 -85.98 -39.64 16.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.444 ' O ' ' NE2' ' A' ' 45' ' ' GLN . 55.8 t -91.11 -37.67 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.5 tm0? -63.63 -69.47 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.778 HD12 ' C ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -41.7 -38.89 1.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.462 ' N ' HD12 ' A' ' 43' ' ' LEU . 0.8 OUTLIER -53.21 -72.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.449 ' N ' ' CD ' ' A' ' 45' ' ' GLN . 1.3 mp0 -47.19 -37.96 11.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.266 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.456 ' CZ3' HG11 ' A' ' 59' ' ' VAL . 15.2 m95 -54.63 -45.08 73.69 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.2 m -40.29 -61.16 0.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.951 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -60.96 -50.9 71.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.456 HG11 ' CZ3' ' A' ' 56' ' ' TRP . 45.7 t -43.61 -62.03 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.549 ' CZ3' ' HG2' ' A' ' 34' ' ' LYS . 52.8 m95 -62.88 -36.38 83.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.045 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.74 45.98 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.52 HG22 ' CD2' ' A' ' 63' ' ' TYR . 3.5 m -162.64 -51.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.41 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.55 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 98.2 m-85 -114.88 145.18 42.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -114.41 179.21 4.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.576 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.565 HD13 HD12 ' A' ' 33' ' ' LEU . 67.5 mt -103.64 131.71 50.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.422 HG22 ' O ' ' A' ' 91' ' ' SER . 0.0 OUTLIER -112.59 163.47 14.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 110.36 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.561 ' HB2' HG22 ' A' ' 90' ' ' VAL . 6.6 t 177.19 145.39 0.1 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.132 . . . . 0.0 109.981 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 48.76 28.36 1.85 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 65.59 31.37 79.86 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 67' ' ' SER . 0.9 OUTLIER -128.44 141.26 51.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 0.754 . . . . 0.0 110.311 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -80.38 116.41 20.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.542 HD23 ' CE1' ' A' ' 82' ' ' TYR . 12.4 mt -81.85 86.36 6.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.7 p -107.54 -62.93 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.386 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.435 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -43.58 128.77 5.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.46 -42.15 8.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -61.5 -18.25 58.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 42.5 tttt -86.04 133.78 33.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.9 mttp -82.22 150.82 27.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 31.0 mt -57.84 -36.45 72.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.92 -48.71 80.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -63.38 -14.76 53.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.542 ' CE1' HD23 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -90.4 -8.67 50.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 110.986 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 97.17 -1.02 60.52 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.528 1.143 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.484 HD11 HD21 ' A' ' 72' ' ' LEU . 71.7 mt -81.89 160.99 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 0.739 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.427 ' N ' HG22 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -153.92 -174.93 5.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.287 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -72.86 137.5 45.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 76.51 38.76 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASP . . . . . 0.435 ' OD2' HG23 ' A' ' 90' ' ' VAL . 0.8 OUTLIER -101.99 -176.49 3.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -132.13 123.24 26.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.312 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.561 HG22 ' HB2' ' A' ' 67' ' ' SER . 2.6 t -117.79 160.24 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.436 ' N ' ' CG1' ' A' ' 90' ' ' VAL . 0.9 OUTLIER -138.59 166.17 25.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 109.998 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.536 ' CZ ' HD21 ' A' ' 65' ' ' LEU . 1.8 m-85 -106.06 123.22 47.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.1 tt -105.73 168.45 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 0.0 109.322 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.55 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 11.4 tttt -115.38 140.02 49.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.955 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.413 ' HA ' ' OD1' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -147.07 159.72 43.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 0.772 . . . . 0.0 110.973 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -111.58 98.1 7.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.377 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.568 HG11 HD21 ' A' ' 33' ' ' LEU . 77.5 t -88.73 115.77 29.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.424 ' HB3' HG11 ' A' ' 19' ' ' VAL . 75.7 mtt180 -84.47 128.51 34.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.44 HG21 ' CD1' ' A' ' 37' ' ' ILE . 2.9 t -97.77 125.18 51.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.239 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 14' ' ' LYS . 4.2 t -84.19 81.85 8.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 108.353 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.424 HG11 ' HB3' ' A' ' 11' ' ' ARG . 37.6 t . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 10.3 mtp -113.87 121.96 35.84 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 106.63 2.31 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.472 1.775 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.867 HG21 HG12 ' A' ' 37' ' ' ILE . 90.2 t -99.78 149.99 5.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.534 ' O ' HG13 ' A' ' 24' ' ' VAL . 13.6 p -119.36 146.78 23.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.534 HG13 ' O ' ' A' ' 23' ' ' VAL . 10.1 m -155.37 168.35 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.23 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.1 m -68.49 144.4 14.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.377 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -43.84 -26.36 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -128.33 64.66 1.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.41 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -91.38 177.19 6.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 43.5 p -130.88 -177.6 4.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.392 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.9 t -57.69 -44.05 84.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 31' ' ' LEU . 7.5 tp -56.95 -57.43 12.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.472 ' OD1' HG12 ' A' ' 24' ' ' VAL . 5.8 t70 -46.17 -57.7 4.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.568 HD21 HG11 ' A' ' 10' ' ' VAL . 0.4 OUTLIER -39.72 -66.33 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.559 ' HG2' ' CE3' ' A' ' 60' ' ' TRP . 0.4 OUTLIER -43.14 -59.2 2.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.36 -48.91 46.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.589 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -50.16 -70.35 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.867 HG12 HG21 ' A' ' 22' ' ' VAL . 72.6 mt -41.69 -31.39 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.658 ' NE2' ' CG ' ' A' ' 56' ' ' TRP . 7.4 mt-30 -76.53 -46.86 24.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.757 ' O ' HD23 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -66.8 -8.58 29.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.419 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 5.7 t80 -87.46 -37.18 17.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.955 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 50.4 t -93.65 -36.29 7.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -65.14 -69.58 0.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.778 HD12 ' C ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -43.39 -42.5 4.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.48 ' N ' HD12 ' A' ' 43' ' ' LEU . 13.5 ttpp -53.4 -62.91 1.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -51.88 -53.2 43.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.644 ' O ' HG23 ' A' ' 59' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.658 ' CG ' ' NE2' ' A' ' 38' ' ' GLN . 71.0 m95 -59.55 -42.98 93.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 108.043 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.3 t -42.78 -59.29 2.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.062 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -62.89 -45.14 93.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 55' ' ' SER . 57.6 t -48.14 -61.52 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.57 ' HZ3' HD21 ' A' ' 65' ' ' LEU . 43.5 m95 -59.1 -25.01 63.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 108.001 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.38 30.45 1.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.265 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.7 m -146.63 -45.73 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.417 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.56 ' CE2' ' HB2' ' A' ' 94' ' ' LYS . 39.8 m-85 -110.18 156.26 20.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -120.38 172.89 7.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.605 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.57 HD21 ' HZ3' ' A' ' 60' ' ' TRP . 37.6 mt -115.0 117.68 31.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.84 160.58 21.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.415 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.0 t -138.2 -82.85 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.961 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -98.44 31.29 2.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 97.16 -19.46 54.68 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -78.12 100.61 6.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 0.751 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.932 ' HE3' HD13 ' A' ' 93' ' ' ILE . 7.6 mmtm -61.33 113.06 2.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.535 HD23 ' CE1' ' A' ' 82' ' ' TYR . 13.8 mt -74.71 91.15 2.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 70.7 p -120.59 1.35 10.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.419 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.423 ' CB ' ' HB3' ' A' ' 77' ' ' LYS . 0.4 OUTLIER -100.22 103.33 14.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.253 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -68.31 -30.49 69.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -76.51 -34.27 58.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.507 ' HD3' ' CE2' ' A' ' 82' ' ' TYR . 3.3 tttt -70.89 132.05 44.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -79.15 154.45 29.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 48.8 mt -60.1 -36.67 77.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.2 ttt180 -59.92 -38.26 81.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.253 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.94 -28.31 66.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.535 ' CE1' HD23 ' A' ' 72' ' ' LEU . 18.0 m-85 -89.03 -2.69 58.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 83.88 16.91 66.64 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.463 1.102 . . . . 0.0 111.03 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 82.3 mt -83.51 110.78 18.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 79.4 mmt-85 -104.94 -174.7 2.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.413 ' OD1' ' HA ' ' A' ' 8' ' ' MET . 7.0 t30 -70.36 154.97 41.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.98 31.26 20.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.32 162.66 13.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -121.74 115.12 22.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.284 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.2 t -99.93 149.95 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.3 163.59 14.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.998 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -112.12 164.84 12.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.932 HD13 ' HE3' ' A' ' 71' ' ' LYS . 10.2 tt -157.04 150.66 9.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.56 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 2.0 tmtt? -108.82 139.17 44.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.409 ' HA ' ' OD1' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -140.63 175.48 9.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 0.784 . . . . 0.0 110.976 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 m -117.03 99.39 7.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.385 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.823 HG11 HD21 ' A' ' 33' ' ' LEU . 61.1 t -92.59 136.96 23.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.8 mtt85 -103.79 159.86 15.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.5 t -125.83 119.37 54.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 15.0 t -104.35 91.51 3.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 108.335 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.8 mtmt . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.1 t . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.515 ' SD ' ' CE1' ' A' ' 40' ' ' TYR . 11.8 mtm -117.86 122.68 30.35 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 106.88 2.36 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.556 1.819 . . . . 0.0 110.977 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.945 HG21 HG12 ' A' ' 37' ' ' ILE . 50.3 t -104.12 148.2 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.605 ' O ' HG13 ' A' ' 24' ' ' VAL . 55.4 t -117.58 146.53 21.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 23' ' ' VAL . 19.8 m -158.21 163.43 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.456 HG23 ' C ' ' A' ' 27' ' ' ASN . 33.8 m -63.96 143.95 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -47.03 -24.24 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.456 ' C ' HG23 ' A' ' 25' ' ' VAL . 2.9 m120 -122.1 53.82 1.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.435 ' N ' HG23 ' A' ' 25' ' ' VAL . . . -82.54 175.55 10.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.1 p -129.7 179.15 5.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.439 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.499 HG21 ' O ' ' A' ' 74' ' ' GLU . 60.0 t -57.82 -40.47 76.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.468 ' HG ' ' CD ' ' A' ' 35' ' ' LYS . 6.5 tp -60.03 -55.59 32.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 33' ' ' LEU . 74.5 m-20 -48.33 -58.51 4.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.823 HD21 HG11 ' A' ' 10' ' ' VAL . 0.5 OUTLIER -39.7 -53.55 2.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -56.8 -65.75 0.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.244 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.468 ' CD ' ' HG ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -42.29 -42.54 3.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.713 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -59.47 -70.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.945 HG12 HG21 ' A' ' 22' ' ' VAL . 78.3 mt -45.09 -26.74 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -77.47 -52.33 9.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.445 1.09 . . . . 0.0 110.274 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -10.46 18.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.515 ' CE1' ' SD ' ' A' ' 20' ' ' MET . 5.8 t80 -79.9 -42.32 24.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.0 t -94.53 -48.31 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -45.85 -70.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mt -53.84 -54.07 43.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.405 ' CB ' ' O ' ' A' ' 40' ' ' TYR . 3.7 ttmt -43.8 -62.2 1.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -53.42 -40.72 65.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' TRP . . . . . 0.452 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 47.7 m95 -44.9 -46.38 10.88 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.6 m -49.4 -54.67 16.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.931 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -66.79 -40.19 88.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.0 t -51.76 -52.21 23.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.452 ' CD1' ' O ' ' A' ' 56' ' ' TRP . 72.3 m95 -65.73 -41.18 92.53 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -61.79 -18.02 58.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.1 m -102.64 -60.7 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.175 . . . . 0.0 110.431 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.556 ' CE1' ' HB2' ' A' ' 94' ' ' LYS . 96.4 m-85 -98.46 154.51 17.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.463 ' ND1' HG22 ' A' ' 73' ' ' THR . 54.2 m-70 -126.28 168.93 13.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.591 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.775 HD13 HD12 ' A' ' 33' ' ' LEU . 87.0 mt -97.12 115.29 27.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.591 ' O ' HG13 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -107.69 160.59 15.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.421 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 35.2 p -134.48 -53.59 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.977 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -164.54 67.18 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.43 -7.72 60.48 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.461 1.101 . . . . 0.0 110.958 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -103.49 106.02 16.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 0.783 . . . . 0.0 110.301 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -71.55 115.56 10.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.337 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.917 HD23 ' CD1' ' A' ' 82' ' ' TYR . 7.8 mt -79.58 79.51 6.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.463 HG22 ' ND1' ' A' ' 64' ' ' HIS . 61.3 p -109.86 -43.81 3.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.409 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.499 ' O ' HG21 ' A' ' 30' ' ' VAL . 0.2 OUTLIER -55.56 119.21 5.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.2 -34.79 21.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -70.31 -28.27 65.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.318 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -77.11 124.65 28.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.113 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -68.78 163.79 23.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 33.1 mt -68.44 -39.77 81.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.66 -28.32 60.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.343 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.22 -22.73 60.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.917 ' CD1' HD23 ' A' ' 72' ' ' LEU . 2.7 m-85 -95.6 18.9 11.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 61.08 27.87 67.98 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 34.1 mm -78.83 150.0 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 0.758 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -142.05 -178.43 5.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.409 ' OD1' ' HA ' ' A' ' 8' ' ' MET . 7.1 t30 -79.83 145.03 32.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 63.84 32.76 13.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -85.01 178.32 7.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -136.44 108.85 7.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.332 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.591 HG13 ' O ' ' A' ' 66' ' ' THR . 39.9 t -97.75 142.7 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.431 ' HB2' HG23 ' A' ' 66' ' ' THR . 0.1 OUTLIER -111.91 161.79 16.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.969 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.598 ' CZ ' HD21 ' A' ' 65' ' ' LEU . 0.3 OUTLIER -106.77 123.48 48.21 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.133 . . . . 0.0 110.999 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.7 tt -108.94 166.91 4.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.556 ' HB2' ' CE1' ' A' ' 63' ' ' TYR . 2.8 ttmt -115.9 139.99 49.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.7 m -148.11 121.1 8.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 110.019 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.2 p -102.78 109.53 21.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.037 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.88 -108.78 2.21 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.535 1.147 . . . . 0.0 110.956 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.4 m -119.41 108.59 14.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 0.767 . . . . 0.0 110.017 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.5 p -122.01 149.78 43.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.98 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.06 -159.28 22.25 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.2 ptm -154.67 157.31 37.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 0.763 . . . . 0.0 110.972 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 m -105.93 100.43 9.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.366 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.6 HG11 HD21 ' A' ' 33' ' ' LEU . 87.0 t -94.39 118.21 39.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -82.49 137.2 34.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.411 HG11 ' HE2' ' A' ' 92' ' ' PHE . 70.5 t -120.5 86.51 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.4 t -68.55 81.03 0.27 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 108.308 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -40.23 153.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.2 ptt? -47.04 -46.62 22.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.83 -56.09 20.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 158.35 -52.22 0.4 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -46.52 116.55 1.33 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 0.771 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.401 ' H ' HG12 ' A' ' 19' ' ' VAL . 2.2 p -91.02 145.89 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.1 mtp -121.34 124.01 27.45 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.967 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 108.83 2.81 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.507 1.793 . . . . 0.0 111.051 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.754 HG21 HG12 ' A' ' 37' ' ' ILE . 71.8 t -102.49 151.03 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.6 ' O ' HG13 ' A' ' 24' ' ' VAL . 14.7 p -114.88 144.98 21.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.6 HG13 ' O ' ' A' ' 23' ' ' VAL . 15.7 m -157.71 170.66 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.444 HG23 ' C ' ' A' ' 27' ' ' ASN . 32.3 m -70.69 155.93 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -20.4 21.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 110.273 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.444 ' C ' HG23 ' A' ' 25' ' ' VAL . 2.0 m120 -127.44 58.27 1.47 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.04 176.72 6.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.457 HG22 ' HA ' ' A' ' 78' ' ' LYS . 72.2 p -130.85 -177.82 4.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 110.41 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.534 ' N ' HD21 ' A' ' 79' ' ' LEU . 83.7 t -61.13 -40.41 85.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.746 HD22 ' HE3' ' A' ' 35' ' ' LYS . 1.4 mt -58.51 -64.47 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -40.64 -56.4 2.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.258 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.63 HD12 HD13 ' A' ' 65' ' ' LEU . 0.2 OUTLIER -39.87 -51.89 2.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.569 ' HG2' ' CE3' ' A' ' 60' ' ' TRP . 0.7 OUTLIER -58.15 -53.77 54.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.746 ' HE3' HD22 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -52.85 -47.48 67.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.52 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -56.94 -61.67 2.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.754 HG12 HG21 ' A' ' 22' ' ' VAL . 71.5 mt -41.68 -35.89 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -78.7 -42.34 28.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.747 ' O ' HD23 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -70.29 -6.37 34.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.338 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.44 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 4.0 t80 -87.49 -37.48 16.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.1 t -93.66 -34.64 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -67.36 -66.36 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.25 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.747 HD23 ' O ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -49.82 -43.17 48.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.097 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -55.08 -58.55 7.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -52.71 -50.16 63.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.01 -50.15 48.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.274 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -70.7 -18.37 62.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -105.83 16.24 25.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.312 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 53.84 70.13 1.03 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -146.3 146.0 15.56 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.1 t -101.79 136.5 33.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 0.752 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -52.96 143.35 17.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 110.305 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -152.8 31.01 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.571 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 36.0 mt -124.76 121.48 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.45 ' O ' HG23 ' A' ' 59' ' ' VAL . 0.5 OUTLIER -74.17 78.96 1.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.025 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.5 ' HB3' ' CD1' ' A' ' 60' ' ' TRP . 90.2 m95 -61.96 -27.71 69.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 108.034 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.8 m -52.67 -60.43 3.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.022 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -66.08 -47.31 74.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 55' ' ' SER . 55.7 t -46.98 -59.05 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.569 ' CE3' ' HG2' ' A' ' 34' ' ' LYS . 50.7 m95 -62.32 -37.49 85.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 107.985 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.65 39.99 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 33.0 m -155.35 -45.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.535 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 98.7 m-85 -118.86 159.86 22.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -124.31 -178.99 4.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.632 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.63 HD13 HD12 ' A' ' 33' ' ' LEU . 58.0 mt -108.01 123.08 48.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.584 HG21 ' HB ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -119.99 160.9 21.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.407 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.519 ' HB2' HG22 ' A' ' 90' ' ' VAL . 3.9 t -133.17 -62.52 0.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.98 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -161.26 69.86 0.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.11 -29.91 5.78 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -79.19 107.64 12.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.438 ' HE2' HD13 ' A' ' 93' ' ' ILE . 14.0 mttt -78.76 113.81 17.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.64 HD21 HD11 ' A' ' 84' ' ' ILE . 10.2 mt -80.45 83.96 6.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.36 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 72.6 p -109.57 -54.75 2.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.422 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.51 127.5 29.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.452 ' HB3' HD12 ' A' ' 31' ' ' LEU . 8.5 m-20 -94.91 -28.02 15.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.81 -2.59 37.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.332 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -105.87 121.66 44.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.457 ' HA ' HG22 ' A' ' 29' ' ' THR . 3.4 mttp -63.56 148.12 49.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.534 HD21 ' N ' ' A' ' 30' ' ' VAL . 34.7 mt -62.58 -39.64 94.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.159 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.52 -21.75 11.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.81 -28.8 27.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -77.6 -12.95 60.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 101.35 9.64 43.84 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.64 HD11 HD21 ' A' ' 72' ' ' LEU . 48.8 mt -92.79 125.33 45.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -122.89 -175.15 3.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.412 ' OD1' ' C ' ' A' ' 86' ' ' ASN . 4.6 t-20 -63.06 140.95 58.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 20.4 mtt180 63.74 57.56 1.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.406 ' OD2' HG23 ' A' ' 84' ' ' ILE . 19.1 t70 -115.37 169.44 9.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -117.55 109.67 16.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.302 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.519 HG22 ' HB2' ' A' ' 67' ' ' SER . 6.5 t -118.05 148.45 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.22 168.15 19.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 110.008 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.465 ' CZ ' HD21 ' A' ' 65' ' ' LEU . 4.8 m-85 -91.17 163.1 14.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.584 ' HB ' HG21 ' A' ' 66' ' ' THR . 15.6 tt -142.51 158.61 19.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.535 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 1.0 OUTLIER -110.1 129.59 55.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -46.22 166.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.6 103.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -130.47 -151.27 7.09 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.547 1.154 . . . . 0.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.1 mp0 -142.01 -60.05 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 0.729 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.46 176.77 6.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.3 t -149.97 149.82 30.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.971 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -76.99 113.94 3.91 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 173.68 14.1 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.529 1.805 . . . . 0.0 111.005 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 20.9 m -135.39 -58.55 0.78 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.02 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 83.9 p -116.79 146.74 42.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.016 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.498 1.124 . . . . 0.0 110.966 180.0 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 t -121.45 111.41 17.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 0.741 . . . . 0.0 109.99 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -134.46 166.06 23.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.992 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.1 175.55 17.97 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -162.48 92.55 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.768 . . . . 0.0 109.965 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.99 94.3 0.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.99 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.86 -165.96 34.31 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.546 ' CG ' HG23 ' A' ' 24' ' ' VAL . 1.2 ptm -151.75 155.34 38.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.761 . . . . 0.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.8 m -102.54 102.19 12.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 110.421 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.766 HG11 HD21 ' A' ' 33' ' ' LEU . 87.2 t -98.19 120.94 48.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.9 mtt-85 -89.03 145.55 25.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.55 HG21 ' CD1' ' A' ' 37' ' ' ILE . 47.3 t -114.66 138.52 44.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.9 t -104.31 85.42 2.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 108.3 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.4 mtmt -56.3 159.67 3.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.3 ptp -57.43 -40.68 78.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 111.054 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -63.77 -54.2 39.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 152.12 -45.25 0.61 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -40.72 141.42 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 0.74 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.7 t -108.25 157.47 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.8 mtp -139.28 122.52 10.7 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.987 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 108.69 2.77 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.506 1.793 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.917 HG21 HG12 ' A' ' 37' ' ' ILE . 96.0 t -102.68 150.53 6.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.664 ' O ' HG13 ' A' ' 24' ' ' VAL . 12.3 p -115.39 148.87 17.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.664 HG13 ' O ' ' A' ' 23' ' ' VAL . 4.7 m -159.04 170.68 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.478 HG23 ' N ' ' A' ' 28' ' ' ALA . 24.0 m -76.17 143.54 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -40.91 -40.94 1.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.334 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -109.39 49.88 0.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.478 ' N ' HG23 ' A' ' 25' ' ' VAL . . . -74.29 176.27 6.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.539 ' C ' HD21 ' A' ' 79' ' ' LEU . 30.8 p -131.04 -175.61 3.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.394 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 74' ' ' GLU . 91.6 t -61.56 -49.58 83.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.349 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.68 HD22 ' HE2' ' A' ' 35' ' ' LYS . 0.7 OUTLIER -52.76 -55.49 22.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.27 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.436 ' OD2' HG12 ' A' ' 24' ' ' VAL . 5.5 t70 -43.83 -53.66 5.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.766 HD21 HG11 ' A' ' 10' ' ' VAL . 0.4 OUTLIER -39.03 -71.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.835 ' HG3' HD21 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -45.81 -58.09 3.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.68 ' HE2' HD22 ' A' ' 31' ' ' LEU . 60.4 mttm -44.1 -50.38 8.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.486 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -56.64 -67.25 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.917 HG12 HG21 ' A' ' 22' ' ' VAL . 96.1 mt -39.87 -32.03 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.421 ' OE1' ' NE1' ' A' ' 60' ' ' TRP . 3.9 mt-30 -76.21 -49.37 17.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.704 ' O ' HD23 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -66.16 -9.04 27.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.333 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -85.54 -36.53 20.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.4 t -93.75 -35.17 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -67.33 -67.3 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.722 HD12 ' C ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -48.55 -44.95 36.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.0 tttt -54.24 -66.88 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 49' ' ' GLY . 45.2 mt-30 -48.31 -53.57 16.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.78 -50.85 17.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -72.35 -21.52 61.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -103.08 20.95 16.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 110.283 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 45' ' ' GLN . . . 127.22 -65.95 0.57 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.13 152.91 26.91 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.507 HG22 ' H ' ' A' ' 52' ' ' GLN . 0.6 OUTLIER -165.89 -178.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 0.775 . . . . 0.0 109.312 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.507 ' H ' HG22 ' A' ' 51' ' ' VAL . 43.1 mm-40 -62.6 157.59 20.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.06 170.58 0.64 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.573 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.693 ' O ' HG22 ' A' ' 54' ' ' ILE . 35.7 mt -119.31 46.36 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 70.0 m 43.11 57.9 3.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.038 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -66.76 -47.53 71.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 108.014 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 61' ' ' ARG . 3.0 m -39.46 -60.89 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.007 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -54.54 -49.22 70.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 111.04 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.4 t -50.59 -51.99 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.538 ' CE3' ' HG2' ' A' ' 34' ' ' LYS . 45.4 m95 -69.74 -27.39 64.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 108.037 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 57' ' ' SER . 0.1 OUTLIER -90.69 36.18 0.9 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.578 1.174 . . . . 0.0 110.295 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.5 HG22 ' CD2' ' A' ' 63' ' ' TYR . 1.9 m -157.94 -44.81 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.501 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 97.9 m-85 -118.81 161.23 20.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.404 ' C ' HD13 ' A' ' 65' ' ' LEU . 93.2 m-70 -141.69 167.03 23.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.612 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.835 HD21 ' HG3' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -89.05 122.66 32.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.421 ' OG1' ' N ' ' A' ' 67' ' ' SER . 2.7 t -105.76 175.39 5.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.355 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.421 ' N ' ' OG1' ' A' ' 66' ' ' THR . 4.8 t 166.04 150.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 109.977 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 43.5 45.42 5.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 46.99 41.91 14.8 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -136.42 136.25 39.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 0.746 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -85.77 119.05 25.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.45 HD12 ' O ' ' A' ' 65' ' ' LEU . 6.0 mt -89.78 88.33 7.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 70.4 p -111.12 -36.02 5.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.409 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.494 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -65.04 122.87 18.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.92 -35.03 26.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -69.4 -34.17 74.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.343 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.446 ' HG2' ' CE2' ' A' ' 82' ' ' TYR . 17.4 tttt -69.48 129.07 38.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -76.17 155.57 34.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.539 HD21 ' C ' ' A' ' 29' ' ' THR . 21.3 mt -67.66 -45.24 75.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -57.29 -17.43 11.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.27 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.48 -10.41 54.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.446 ' CE2' ' HG2' ' A' ' 77' ' ' LYS . 1.9 m-85 -102.87 -1.93 28.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.937 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.93 17.79 50.0 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.531 1.144 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 21.7 mt -98.05 107.36 20.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 0.739 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -99.96 -174.75 2.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.355 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -74.22 148.97 41.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.3 mtm-85 65.74 31.22 9.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.314 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -100.1 158.86 15.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -106.01 122.71 46.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.27 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.6 t -111.66 157.49 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.17 166.9 18.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.012 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.521 ' CE1' ' CD1' ' A' ' 65' ' ' LEU . 0.7 OUTLIER -106.3 127.03 52.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' A' ' 63' ' ' TYR . 1.3 tt -111.9 167.61 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.501 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 10.2 tttt -118.83 133.47 55.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt -48.96 169.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.8 tt -62.93 115.24 4.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -144.91 -152.96 5.73 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.467 1.105 . . . . 0.0 110.943 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.442 ' O ' ' CB ' ' A' ' 99' ' ' LYS . 3.6 tt0 -120.82 132.96 55.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 0.751 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.442 ' CB ' ' O ' ' A' ' 98' ' ' GLN . 8.3 tttm 83.91 80.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.27 152.65 24.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 110.009 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.62 148.09 49.21 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 93.11 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.517 1.798 . . . . 0.0 111.035 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.62 -62.19 1.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.075 . . . . 0.0 110.056 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.8 t 63.95 112.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.027 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.511 1.132 . . . . 0.0 111.039 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.3 p -159.41 147.18 17.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 0.741 . . . . 0.0 109.988 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 59.48 170.1 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.95 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.15 131.06 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.494 1.122 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.0 p -107.98 79.06 1.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 109.999 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.87 94.45 5.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.986 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.16 -174.3 46.3 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.464 1.102 . . . . 0.0 111.027 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.54 169.98 19.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 110.956 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -118.87 95.91 5.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.415 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.625 HG11 HD21 ' A' ' 33' ' ' LEU . 88.1 t -88.23 112.53 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.0 mtt-85 -81.48 133.46 35.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 110.3 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.81 HG21 HD11 ' A' ' 37' ' ' ILE . 5.0 t -116.59 91.83 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 14' ' ' LYS . 28.6 t -74.23 84.76 1.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 108.286 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 13' ' ' CYS . 52.3 mtmt -39.16 153.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.8 ptp -48.96 -50.95 33.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 54.2 p-10 -141.76 51.18 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -143.62 -172.21 14.32 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -88.38 118.02 27.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 0.746 . . . . 0.0 110.263 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 2.4 p -41.32 137.02 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.6 mtm -116.91 122.93 30.79 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.406 ' O ' ' CE2' ' A' ' 40' ' ' TYR . 18.2 Cg_endo -74.95 108.48 2.73 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.562 1.822 . . . . 0.0 111.043 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.93 HG21 HG12 ' A' ' 37' ' ' ILE . 47.2 t -102.4 146.18 10.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 68.8 t -114.09 145.39 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.43 ' HB ' ' CB ' ' A' ' 28' ' ' ALA . 4.2 m -150.54 175.35 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.438 HG22 ' HB2' ' A' ' 28' ' ' ALA . 25.1 m -72.09 145.63 12.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.6 -25.89 0.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.434 ' C ' HG23 ' A' ' 25' ' ' VAL . 7.6 m120 -128.35 65.54 1.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.438 ' HB2' HG22 ' A' ' 25' ' ' VAL . . . -94.57 177.96 5.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.229 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.451 ' C ' HD21 ' A' ' 79' ' ' LEU . 15.2 p -129.59 -175.53 3.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.433 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.501 HG21 ' O ' ' A' ' 74' ' ' GLU . 91.2 t -58.17 -63.06 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 tp -42.98 -58.29 2.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 33' ' ' LEU . 19.2 t0 -42.08 -57.59 2.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.908 HD12 HD13 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -40.13 -59.03 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.556 ' HG2' ' CE3' ' A' ' 60' ' ' TRP . 0.8 OUTLIER -51.94 -57.74 8.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.113 . . . . 0.0 109.27 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -42.67 -48.27 5.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.512 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -58.04 -65.97 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.93 HG12 HG21 ' A' ' 22' ' ' VAL . 77.5 mt -39.43 -35.77 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.41 ' OE1' ' NE1' ' A' ' 60' ' ' TRP . 3.8 mt-30 -76.15 -49.9 16.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.714 ' O ' HD23 ' A' ' 43' ' ' LEU . 2.5 mtt180 -69.2 -6.86 31.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.112 . . . . 0.0 110.274 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.445 ' N ' ' O ' ' A' ' 36' ' ' ALA . 62.2 t80 -83.51 -45.15 13.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 89.8 t -87.04 -43.57 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -67.61 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.732 HD12 ' C ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -48.7 -42.73 35.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 109.267 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -49.68 -71.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 48' ' ' GLU . 30.6 mt-30 -48.05 -52.78 18.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.06 -58.39 2.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -57.14 -24.29 53.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.358 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 45' ' ' GLN . 18.3 mt-10 -100.88 15.32 28.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 110.26 -54.38 0.55 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.126 . . . . 0.0 111.044 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.21 -175.29 19.61 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.49 HG22 ' H ' ' A' ' 52' ' ' GLN . 0.5 OUTLIER -171.96 -178.79 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.499 0.764 . . . . 0.0 109.326 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.49 ' H ' HG22 ' A' ' 51' ' ' VAL . 3.9 mt-30 -50.69 149.72 3.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -91.37 149.21 21.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.608 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 24.3 mt -116.86 146.0 21.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.34 70.1 1.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 110.021 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 67.6 m95 -52.99 -50.57 63.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 108.02 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 61' ' ' ARG . 10.4 t -39.66 -57.84 1.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.03 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -61.05 -48.55 81.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.8 t -51.88 -39.91 26.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.556 ' CE3' ' HG2' ' A' ' 34' ' ' LYS . 68.3 m95 -81.31 -30.09 34.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 108.022 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 57' ' ' SER . 0.0 OUTLIER -90.3 36.82 0.88 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.1 m -161.47 -44.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.362 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.506 ' CE2' ' HG3' ' A' ' 94' ' ' LYS . 84.6 m-85 -110.41 140.96 44.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -116.2 163.43 15.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.612 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.908 HD13 HD12 ' A' ' 33' ' ' LEU . 35.1 mt -94.08 121.92 36.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.524 HG21 ' HB ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -108.91 160.42 16.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.392 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.1 t -135.9 -87.91 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.33 -85.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.082 . . . . 0.0 109.328 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -134.65 24.58 3.49 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -126.78 152.19 47.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 0.778 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.485 ' HE3' HD13 ' A' ' 93' ' ' ILE . 5.0 mttp -101.82 112.75 25.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.673 HD21 HD11 ' A' ' 84' ' ' ILE . 14.8 mt -68.33 86.89 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.7 p -111.06 -64.47 1.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.409 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.501 ' O ' HG21 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -44.46 137.28 3.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.264 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.01 -47.64 5.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -56.86 -20.48 23.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.2 tttt -84.58 132.45 34.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.67 154.12 30.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.451 HD21 ' C ' ' A' ' 29' ' ' THR . 34.7 mt -62.27 -37.32 85.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.492 ' CZ ' ' OD1' ' A' ' 81' ' ' ASP . 0.4 OUTLIER -60.57 -31.26 70.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 110.323 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.492 ' OD1' ' CZ ' ' A' ' 80' ' ' ARG . 2.7 m-20 -74.61 -17.19 60.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.521 ' CD1' HD23 ' A' ' 72' ' ' LEU . 1.2 m-85 -91.49 -3.15 56.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 93.3 6.13 63.13 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.512 1.133 . . . . 0.0 110.996 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.673 HD11 HD21 ' A' ' 72' ' ' LEU . 68.1 mt -85.91 154.54 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.745 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.474 ' N ' ' CD ' ' A' ' 85' ' ' ARG . 0.0 OUTLIER -148.15 -174.3 4.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -66.87 144.48 56.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 57.55 61.01 2.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -115.27 172.6 6.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -118.91 109.2 15.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.334 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.433 HG13 ' O ' ' A' ' 66' ' ' THR . 6.6 t -111.88 148.22 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.95 165.14 22.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.0 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.488 ' CZ ' HD21 ' A' ' 65' ' ' LEU . 0.5 OUTLIER -96.67 149.66 21.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 111.0 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.524 ' HB ' HG21 ' A' ' 66' ' ' THR . 16.1 tt -142.41 161.98 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.506 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 0.5 OUTLIER -118.39 149.75 40.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -63.77 -179.12 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.47 166.53 14.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -142.22 165.96 26.52 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.539 1.149 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -133.94 -60.73 0.81 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.561 0.8 . . . . 0.0 110.317 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -171.45 108.49 0.27 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -133.33 168.25 18.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.169 . . . . 0.0 109.993 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -52.98 157.33 4.45 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.467 1.105 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 176.35 10.02 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.782 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.9 m 57.7 164.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 110.01 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.0 t -175.44 90.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.021 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -42.2 105.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 0.78 . . . . 0.0 110.031 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 56.97 103.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.117 . . . . 0.0 110.007 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.99 155.17 12.01 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.1 p -139.02 -59.76 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 0.756 . . . . 0.0 109.997 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.21 160.48 15.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.961 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.02 -161.61 12.66 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.0 -179.47 6.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 0.794 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -124.46 98.14 5.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.405 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.762 HG11 HD21 ' A' ' 33' ' ' LEU . 93.7 t -92.65 106.52 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.425 ' HB3' HG21 ' A' ' 19' ' ' VAL . 8.3 mtt180 -78.17 119.8 22.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.713 HG21 HD11 ' A' ' 37' ' ' ILE . 17.6 t -99.33 95.73 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 51.3 t -77.48 83.52 3.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 108.315 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -40.56 156.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.251 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.556 ' SD ' ' CE2' ' A' ' 63' ' ' TYR . 1.2 ptp -55.01 -37.75 67.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.46 -57.86 11.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 162.76 -56.7 0.29 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -46.86 124.26 6.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.77 . . . . 0.0 110.297 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.425 HG21 ' HB3' ' A' ' 11' ' ' ARG . 1.9 p -99.86 148.61 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.487 ' HB3' ' HE3' ' A' ' 20' ' ' MET . 6.5 mtp -124.25 123.75 25.92 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 111.06 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 108.48 2.72 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.782 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.763 HG21 HG12 ' A' ' 37' ' ' ILE . 63.3 t -104.35 150.2 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.153 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.471 ' O ' HG13 ' A' ' 24' ' ' VAL . 41.9 t -114.07 145.64 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 23' ' ' VAL . 15.3 m -153.94 168.68 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.46 HG23 ' N ' ' A' ' 28' ' ' ALA . 13.5 m -61.53 159.34 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -57.19 -16.96 9.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 110.333 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -141.51 65.47 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.465 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -87.36 179.42 6.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.3 p -131.05 -177.46 4.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.412 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.421 ' CG2' ' O ' ' A' ' 74' ' ' GLU . 70.3 t -58.32 -44.9 89.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 31' ' ' LEU . 7.6 tp -57.41 -59.62 4.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -44.65 -57.02 3.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.762 HD21 HG11 ' A' ' 10' ' ' VAL . 0.4 OUTLIER -40.6 -59.2 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 109.268 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.661 ' HG3' HD11 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -49.82 -60.2 3.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.24 -51.14 14.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.612 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -50.44 -65.63 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.763 HG12 HG21 ' A' ' 22' ' ' VAL . 74.4 mt -40.19 -33.08 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.404 ' N ' ' C ' ' A' ' 36' ' ' ALA . 10.3 mt-30 -78.84 -53.11 7.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -8.86 22.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.617 ' HD2' HG23 ' A' ' 41' ' ' VAL . 43.0 t80 -79.9 -42.6 23.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.617 HG23 ' HD2' ' A' ' 40' ' ' TYR . 82.6 t -94.83 -50.62 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -42.9 -70.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.34 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mt -50.14 -34.21 21.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.04 -66.25 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.147 . . . . 0.0 109.34 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 49' ' ' GLY . 30.2 mt-30 -52.97 -43.02 66.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -55.48 18.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.81 -14.06 62.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -111.31 17.79 19.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 45' ' ' GLN . . . 52.85 77.37 0.14 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.469 1.106 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -149.79 97.44 0.18 Allowed Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 28.0 m -55.24 141.97 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.54 0.788 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -48.81 147.12 2.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.103 . . . . 0.0 110.322 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -167.52 45.94 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.618 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.9 mt -141.41 119.96 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.52 68.54 2.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.973 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.56 ' HB3' ' CD1' ' A' ' 60' ' ' TRP . 75.2 m95 -53.26 -34.94 59.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 108.02 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.437 ' O ' ' CB ' ' A' ' 61' ' ' ARG . 16.7 m -49.63 -58.53 5.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -61.15 -53.36 57.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 73.5 t -47.69 -58.47 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.56 ' CD1' ' HB3' ' A' ' 56' ' ' TRP . 44.0 m95 -63.17 -38.32 90.69 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.437 ' CB ' ' O ' ' A' ' 57' ' ' SER . 0.3 OUTLIER -88.65 41.55 1.03 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 110.284 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.514 HG22 ' CD1' ' A' ' 63' ' ' TYR . 17.5 m -158.36 -45.21 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 110.404 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.556 ' CE2' ' SD ' ' A' ' 15' ' ' MET . 83.3 m-85 -121.61 161.47 22.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 22.9 m80 -130.97 176.57 8.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.613 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.713 HD13 HD12 ' A' ' 33' ' ' LEU . 4.5 mt -104.52 131.61 51.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 67' ' ' SER . 1.6 t -108.3 174.85 5.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.375 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.52 ' HB3' HD11 ' A' ' 72' ' ' LEU . 1.0 OUTLIER -179.23 132.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.047 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 67' ' ' SER . . . 69.52 -64.56 0.34 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.253 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 67' ' ' SER . . . 170.74 39.43 0.03 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.453 1.096 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -146.16 159.98 42.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 0.787 . . . . 0.0 110.299 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -90.27 118.89 30.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.687 HD23 ' CE1' ' A' ' 82' ' ' TYR . 15.0 mt -80.87 79.17 7.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.8 p -105.57 -19.76 13.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 110.366 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.421 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.5 OUTLIER -76.38 115.05 15.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.03 -33.8 33.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -75.58 -18.06 59.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.4 ' CB ' ' HB3' ' A' ' 74' ' ' GLU . 2.4 tttt -85.21 122.39 29.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.23 159.72 30.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 95.3 mt -65.83 -41.61 91.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.53 -23.6 58.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 110.339 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -72.42 -17.4 61.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.687 ' CE1' HD23 ' A' ' 72' ' ' LEU . 14.9 m-85 -102.55 12.36 36.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 111.056 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 77.68 24.27 65.35 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 33.3 mt -95.95 128.16 47.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 0.779 . . . . 0.0 109.253 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -126.09 -175.38 3.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -63.29 135.56 57.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 63.13 69.74 0.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.29 165.38 17.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -112.6 113.63 25.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.4 t -111.84 151.98 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.21 167.26 17.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.025 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.6 ' CZ ' HD21 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -102.88 130.53 49.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.978 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.5 tt -110.31 169.18 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.425 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 11.8 tttt -115.15 149.43 37.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.401 ' N ' ' HG2' ' A' ' 94' ' ' LYS . 5.6 mtpt -60.48 172.77 0.81 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.13 85.86 5.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.36 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 63.83 91.06 0.03 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.544 1.152 . . . . 0.0 111.001 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -163.72 120.28 1.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 0.754 . . . . 0.0 110.256 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -165.35 128.68 2.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.2 p 179.08 120.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 110.03 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 129.77 141.42 5.01 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -178.65 4.32 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.48 1.779 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 84.2 p -146.7 129.71 16.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.975 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.03 133.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.006 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 t -83.27 153.99 24.38 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.443 0.731 . . . . 0.0 109.984 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.8 p -167.45 149.06 5.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 110.029 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.38 -129.83 0.11 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.466 1.103 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.79 117.94 1.28 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 0.777 . . . . 0.0 109.956 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.9 t -171.77 100.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.014 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.76 -144.2 5.94 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.426 ' CB ' ' HA ' ' A' ' 86' ' ' ASN . 1.5 ptm -149.2 171.9 15.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 0.769 . . . . 0.0 110.977 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -124.48 103.41 8.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.394 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.768 HG11 HD21 ' A' ' 33' ' ' LEU . 88.1 t -98.19 98.49 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -71.83 112.04 7.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 110.278 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.563 HG21 ' CD1' ' A' ' 37' ' ' ILE . 0.3 OUTLIER -90.77 114.1 27.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.0 m -89.61 88.72 7.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 108.319 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -41.03 151.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -46.29 -52.14 13.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -142.38 50.87 1.48 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -143.08 -178.48 18.97 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.122 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 19' ' ' VAL . 2.0 tt0 -79.53 117.01 20.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 0.729 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.43 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.2 OUTLIER -39.5 147.04 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.461 ' HE1' ' CG2' ' A' ' 41' ' ' VAL . 3.6 mtp -128.84 125.62 23.01 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 109.55 2.95 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.484 1.781 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.86 HG21 HG12 ' A' ' 37' ' ' ILE . 57.6 t -101.91 151.92 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.464 ' O ' HG13 ' A' ' 24' ' ' VAL . 12.6 p -119.22 146.35 24.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.487 ' HB ' ' HB2' ' A' ' 28' ' ' ALA . 11.3 m -153.68 -179.53 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.471 HG23 ' C ' ' A' ' 27' ' ' ASN . 34.8 m -76.33 156.23 5.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -19.09 4.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.471 ' C ' HG23 ' A' ' 25' ' ' VAL . 41.1 p-10 -132.23 61.36 1.66 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.487 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . . . -87.97 170.09 11.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 29.8 p -131.08 170.31 14.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 110.391 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.515 HG21 ' O ' ' A' ' 74' ' ' GLU . 55.0 t -44.94 -42.6 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 31' ' ' LEU . 13.9 tp -58.44 -64.55 0.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 33' ' ' LEU . 5.8 t70 -41.26 -54.55 2.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.768 HD21 HG11 ' A' ' 10' ' ' VAL . 0.4 OUTLIER -40.2 -62.77 0.7 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.84 -56.17 15.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -46.64 -45.75 19.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.537 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -58.6 -69.08 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.86 HG12 HG21 ' A' ' 22' ' ' VAL . 42.4 mt -40.88 -32.14 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -75.6 -56.84 4.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -66.15 -8.15 22.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.43 ' N ' ' O ' ' A' ' 36' ' ' ALA . 35.6 t80 -83.6 -40.53 18.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 111.04 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.461 ' CG2' ' HE1' ' A' ' 20' ' ' MET . 65.8 t -94.72 -44.96 13.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -50.84 -70.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 43' ' ' LEU . 3.9 mt -52.0 -59.92 3.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 43' ' ' LEU . 1.5 ttpt -40.14 -58.48 1.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 49' ' ' GLY . 75.6 mt-30 -57.31 -47.79 80.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.74 -51.67 9.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -24.28 63.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 45' ' ' GLN . 23.4 mt-10 -102.05 20.76 15.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.319 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 45' ' ' GLN . . . 40.54 85.76 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.5 1.125 . . . . 0.0 110.954 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -117.07 -159.95 11.66 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.2 p -85.37 130.61 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.307 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.401 ' CD ' ' O ' ' A' ' 52' ' ' GLN . 2.5 pp0? -55.05 104.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 14.8 m80 58.29 159.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.539 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.619 ' O ' HG22 ' A' ' 54' ' ' ILE . 73.6 mt -131.64 55.92 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.247 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.5 ' O ' HG23 ' A' ' 59' ' ' VAL . 27.9 p 39.55 58.99 1.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.002 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 77.5 m95 -66.97 -39.67 87.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 108.003 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.6 m -44.21 -60.42 1.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.965 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.421 ' O ' ' N ' ' A' ' 61' ' ' ARG . 36.2 t80 -60.91 -51.6 68.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 55' ' ' SER . 48.4 t -45.14 -51.92 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -70.3 -30.22 67.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 107.975 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -91.01 38.83 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.27 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 89.1 m -154.93 -44.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.424 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.448 ' CE1' ' HB2' ' A' ' 94' ' ' LYS . 96.4 m-85 -121.44 149.91 42.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.41 ' O ' HG22 ' A' ' 93' ' ' ILE . 84.5 m-70 -118.79 165.29 14.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.605 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.716 HD13 HD12 ' A' ' 33' ' ' LEU . 54.3 mt -94.04 137.99 32.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.435 ' OG1' ' N ' ' A' ' 67' ' ' SER . 3.6 t -129.59 178.06 6.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.383 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.626 ' HB2' HG22 ' A' ' 90' ' ' VAL . 1.5 t 175.08 137.33 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.949 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 67' ' ' SER . . . 69.5 -64.55 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.341 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 67' ' ' SER . . . 167.81 40.5 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -146.5 140.67 26.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.752 . . . . 0.0 110.287 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -79.04 118.51 21.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.578 HD23 ' CE1' ' A' ' 82' ' ' TYR . 2.1 mt -89.33 84.04 6.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 66.6 p -104.6 -37.95 6.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.379 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.515 ' O ' HG21 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -57.77 130.78 48.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.25 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.54 -39.03 9.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.7 mmt85 -66.17 -17.45 64.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 110.34 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -86.05 141.47 29.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.19 151.79 22.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.475 HD21 ' HA ' ' A' ' 30' ' ' VAL . 26.9 mt -64.53 -39.35 93.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.27 -17.5 53.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.274 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.12 -10.62 43.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.578 ' CE1' HD23 ' A' ' 72' ' ' LEU . 1.0 OUTLIER -101.21 -1.72 33.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 111.043 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 100.64 -9.96 58.96 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.506 1.129 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 49.8 mt -79.68 116.28 23.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 0.769 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 30.6 mmm-85 -118.1 -174.69 2.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.426 ' HA ' ' CB ' ' A' ' 8' ' ' MET . 4.2 t30 -55.09 137.48 46.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 62.28 60.24 1.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.57 -176.53 3.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -135.54 140.51 44.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.626 HG22 ' HB2' ' A' ' 67' ' ' SER . 2.2 t -134.21 152.41 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.01 168.12 13.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.989 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.506 ' CZ ' HD21 ' A' ' 65' ' ' LEU . 5.6 m-85 -104.86 135.46 46.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.41 HG22 ' O ' ' A' ' 64' ' ' HIS . 1.1 tt -119.39 167.4 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.448 ' HB2' ' CE1' ' A' ' 63' ' ' TYR . 12.7 ttmt -114.06 149.9 34.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.401 ' N ' ' HG2' ' A' ' 94' ' ' LYS . 17.1 mttt -57.15 165.49 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.71 124.09 22.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -69.57 162.65 52.08 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.557 1.161 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -159.56 167.76 27.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 110.329 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.91 145.94 46.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 54.22 95.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.025 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -160.4 66.87 0.26 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 145.08 31.08 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.455 1.766 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 97.4 p -147.43 148.62 31.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.037 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.2 m -151.78 159.54 43.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.971 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.975 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.96 170.42 12.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 0.776 . . . . 0.0 110.02 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 p -52.88 130.05 32.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.992 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.41 145.61 4.31 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.4 m -141.59 82.42 1.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.771 . . . . 0.0 110.033 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -156.03 109.89 2.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.996 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.12 -160.52 24.15 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.493 1.121 . . . . 0.0 110.952 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.467 ' SD ' ' CG2' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -139.87 173.71 11.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 111.024 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -123.97 105.6 9.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.425 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.71 HG11 HD21 ' A' ' 33' ' ' LEU . 60.1 t -101.53 124.79 55.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.454 ' HB3' HG13 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -96.4 139.11 33.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.488 HG21 ' CD1' ' A' ' 37' ' ' ILE . 3.0 t -101.3 123.28 54.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 t -89.54 83.39 6.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 108.317 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.5 -80.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 18.6 mtt -140.18 38.31 1.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 68.12 35.06 3.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -139.5 -65.3 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.52 1.138 . . . . 0.0 110.942 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -102.81 143.03 32.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 0.758 . . . . 0.0 110.298 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.454 HG13 ' HB3' ' A' ' 11' ' ' ARG . 27.8 t -130.13 142.75 42.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.7 mtp -124.64 122.46 25.74 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.556 ' O ' ' CE2' ' A' ' 40' ' ' TYR . 18.4 Cg_endo -75.01 109.25 2.89 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.45 1.763 . . . . 0.0 111.048 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.937 HG21 HG12 ' A' ' 37' ' ' ILE . 85.5 t -103.35 150.27 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 109.373 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.425 ' O ' HG13 ' A' ' 24' ' ' VAL . 14.7 p -119.71 144.65 27.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.467 ' CG2' ' SD ' ' A' ' 8' ' ' MET . 20.2 m -153.16 163.3 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.513 HG23 ' C ' ' A' ' 27' ' ' ASN . 35.3 m -58.83 153.47 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.76 -20.29 3.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.513 ' C ' HG23 ' A' ' 25' ' ' VAL . 4.0 m-20 -136.31 66.85 1.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.087 . . . . 0.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.51 ' HB2' HG22 ' A' ' 25' ' ' VAL . . . -90.91 178.98 5.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 42.0 p -127.54 -176.1 3.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.388 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.579 ' HA ' HD21 ' A' ' 79' ' ' LEU . 82.9 t -61.18 -38.07 78.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 31' ' ' LEU . 7.5 tp -61.95 -60.83 3.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 33' ' ' LEU . 3.1 t0 -41.15 -55.45 2.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.73 ' CD1' HD11 ' A' ' 37' ' ' ILE . 0.4 OUTLIER -39.9 -70.56 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.531 ' HG3' HD11 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -44.16 -61.27 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -42.54 -58.23 2.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 40' ' ' TYR . . . -46.9 -67.64 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.937 HG12 HG21 ' A' ' 22' ' ' VAL . 71.7 mt -39.52 -33.64 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -78.79 -55.46 5.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.325 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.786 ' O ' HD23 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -62.0 -12.16 17.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 110.348 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.556 ' CE2' ' O ' ' A' ' 21' ' ' PRO . 58.6 t80 -81.5 -42.82 19.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.3 t -91.98 -45.28 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.338 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -50.57 -69.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.786 HD23 ' O ' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -46.96 -39.77 13.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.84 -71.1 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.57 ' OE1' HD11 ' A' ' 54' ' ' ILE . 90.9 mt-30 -54.74 -41.32 70.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.331 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.28 -49.37 23.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -70.04 -24.48 63.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -94.57 14.69 20.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.292 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.52 52.87 4.28 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 111.048 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 42.14 -159.81 0.05 OUTLIER Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.513 HG22 ' H ' ' A' ' 52' ' ' GLN . 0.5 OUTLIER -142.2 -175.45 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.558 0.799 . . . . 0.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.513 ' H ' HG22 ' A' ' 51' ' ' VAL . 1.7 mt-30 -53.59 -68.97 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -167.47 145.61 4.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.572 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.57 HD11 ' OE1' ' A' ' 45' ' ' GLN . 11.0 mt -139.51 129.77 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.37 73.08 0.9 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.107 . . . . 0.0 109.965 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 24.5 m95 -58.78 -46.47 87.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 107.991 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.473 ' O ' ' CB ' ' A' ' 61' ' ' ARG . 2.3 m -40.79 -56.5 2.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 110.01 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -58.99 -55.66 32.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 41.6 t -44.57 -62.78 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.472 ' CZ3' ' HG2' ' A' ' 34' ' ' LYS . 69.9 m95 -60.55 -36.5 78.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 107.993 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.473 ' CB ' ' O ' ' A' ' 57' ' ' SER . 0.2 OUTLIER -87.44 43.66 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.9 m -161.63 -43.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.37 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -120.3 141.34 50.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -112.59 174.63 5.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.618 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.649 HD22 ' CE1' ' A' ' 92' ' ' PHE . 17.2 mt -108.89 121.08 44.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.2 t -112.87 178.19 4.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.387 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 70' ' ' GLU . 6.8 t 171.5 147.43 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.961 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 46.83 30.99 1.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 65.51 35.99 91.97 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 67' ' ' SER . 0.7 OUTLIER -137.6 137.75 38.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 110.28 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.5 mttt -76.64 126.8 31.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.534 HD23 ' CE1' ' A' ' 82' ' ' TYR . 8.0 mt -93.89 71.02 4.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.8 p -98.43 -45.35 6.16 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.151 . . . . 0.0 110.448 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.47 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -51.51 125.35 14.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.248 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.51 -37.28 12.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 22.3 mmt-85 -63.47 -26.6 68.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.413 ' CE ' ' HB3' ' A' ' 81' ' ' ASP . 27.1 tttt -76.95 154.33 33.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -98.02 153.03 18.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.579 HD21 ' HA ' ' A' ' 30' ' ' VAL . 43.0 mt -61.31 -37.13 82.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.3 ttt85 -62.83 -47.94 81.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.413 ' HB3' ' CE ' ' A' ' 77' ' ' LYS . 13.6 m-20 -58.09 -17.94 21.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.534 ' CE1' HD23 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -91.7 -6.66 51.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 111.024 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 99.65 3.85 56.07 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 10.6 mt -94.08 104.86 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 0.762 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -104.88 -174.72 2.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 110.334 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.451 ' HA ' ' CB ' ' A' ' 8' ' ' MET . 3.6 p-10 -57.49 136.0 56.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 64.82 63.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -128.15 158.74 37.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -112.48 128.84 56.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.3 t -110.61 152.57 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.255 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.98 166.15 11.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.991 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.649 ' CE1' HD22 ' A' ' 65' ' ' LEU . 1.6 m-85 -114.63 124.17 51.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.5 tt -105.75 163.36 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 38.7 tttt -108.49 162.5 14.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -93.75 22.15 5.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.3 tt -138.82 138.88 37.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 161.97 102.81 0.18 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.437 1.086 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -103.01 28.14 6.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 0.755 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.09 -55.01 1.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 42.03 86.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.967 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -82.62 -163.04 32.67 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 110.957 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 161.72 38.32 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.465 1.771 . . . . 0.0 111.04 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.5 m -52.07 -55.81 18.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.4 t 60.21 95.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.987 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.464 1.102 . . . . 0.0 110.987 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m -62.56 115.09 3.96 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.472 0.748 . . . . 0.0 109.954 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.7 m 61.53 159.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.022 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.93 91.16 0.19 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.461 1.101 . . . . 0.0 111.059 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.17 173.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 0.787 . . . . 0.0 109.973 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.4 175.95 1.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.008 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.89 -156.16 26.53 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.485 ' CG ' HG23 ' A' ' 24' ' ' VAL . 1.2 ptm -147.89 157.25 43.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.772 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 m -105.15 108.13 19.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.414 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.77 HG11 HD21 ' A' ' 33' ' ' LEU . 94.3 t -106.74 124.06 62.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.47 ' HG2' ' CG1' ' A' ' 19' ' ' VAL . 2.6 mpt_? -87.76 158.81 18.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.562 HG21 ' CD1' ' A' ' 37' ' ' ILE . 74.5 t -133.23 131.18 58.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.6 t -102.31 84.57 2.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 108.302 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -49.47 156.18 0.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.7 ptt? -53.75 -42.53 68.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 111.042 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -149.97 48.15 0.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -133.15 -155.87 7.92 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.73 173.72 6.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 110.278 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.47 ' CG1' ' HG2' ' A' ' 11' ' ' ARG . 61.7 t -75.19 137.42 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.2 mtp -125.73 122.38 24.63 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.998 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 108.88 2.81 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.456 1.766 . . . . 0.0 111.054 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.905 HG21 HG12 ' A' ' 37' ' ' ILE . 95.7 t -101.63 150.87 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.0 t -117.5 136.3 55.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.485 HG23 ' CG ' ' A' ' 8' ' ' MET . 0.7 OUTLIER -145.61 -177.19 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.626 HG22 ' HB2' ' A' ' 28' ' ' ALA . 18.3 m -82.68 151.56 4.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -51.14 -21.29 1.87 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.097 . . . . 0.0 110.288 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.422 ' C ' HG23 ' A' ' 25' ' ' VAL . 4.0 p30 -135.08 66.31 1.53 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.626 ' HB2' HG22 ' A' ' 25' ' ' VAL . . . -95.81 173.95 7.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.256 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.4 HG22 ' HA ' ' A' ' 78' ' ' LYS . 19.3 p -125.27 -176.58 3.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 110.398 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.1 t -58.39 -45.38 89.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.673 HD22 ' HE3' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -54.07 -61.66 2.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.254 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 33' ' ' LEU . 8.2 m-20 -43.32 -54.79 4.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.77 HD21 HG11 ' A' ' 10' ' ' VAL . 0.3 OUTLIER -39.81 -52.61 2.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.331 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.461 ' HG2' ' CE3' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -57.86 -52.1 66.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.673 ' HE3' HD22 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -52.22 -51.15 59.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.554 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -52.39 -70.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.905 HG12 HG21 ' A' ' 22' ' ' VAL . 87.2 mt -39.81 -34.36 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.423 ' HG2' ' CE2' ' A' ' 56' ' ' TRP . 3.1 mt-30 -73.96 -62.92 1.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.676 ' O ' HD23 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -53.58 -18.89 3.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -76.57 -42.04 44.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.8 t -87.19 -47.26 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -53.89 -69.31 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.775 HD12 ' C ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -43.27 -37.76 2.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.112 . . . . 0.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.457 ' N ' HD12 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -57.85 -72.2 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -50.8 -41.91 57.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.541 1.15 . . . . 0.0 110.288 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.28 -48.25 12.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.264 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.31 -52.32 3.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -85.39 -24.83 27.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.64 66.0 0.51 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -48.77 176.39 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 53' ' ' HIS . 4.0 t -60.97 142.27 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -51.33 93.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.404 ' N ' ' O ' ' A' ' 51' ' ' VAL . 1.6 t60 63.15 135.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.591 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.562 HG12 ' CD1' ' A' ' 56' ' ' TRP . 0.7 OUTLIER -111.1 152.05 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.354 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.413 ' N ' HG13 ' A' ' 54' ' ' ILE . 0.4 OUTLIER -92.46 71.16 5.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.562 ' CD1' HG12 ' A' ' 54' ' ' ILE . 60.5 m95 -73.93 -38.49 64.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 108.023 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -39.79 -62.02 0.76 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -49.36 -52.86 25.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 77.7 t -47.21 -56.1 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.461 ' CE3' ' HG2' ' A' ' 34' ' ' LYS . 50.9 m95 -65.15 -27.93 69.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 107.98 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.3 39.98 0.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.475 HG22 ' CD1' ' A' ' 63' ' ' TYR . 5.1 m -159.61 -43.69 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.387 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.532 ' CE2' ' HG3' ' A' ' 94' ' ' LYS . 89.3 m-85 -116.29 151.86 35.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.457 ' HB2' ' CG2' ' A' ' 93' ' ' ILE . 80.9 m-70 -118.02 171.87 7.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.599 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.784 HD21 ' CZ ' ' A' ' 92' ' ' PHE . 87.3 mt -110.54 132.05 54.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.96 159.83 22.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.387 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.864 ' HG ' HD21 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -163.94 127.19 2.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 110.001 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 67' ' ' SER . . . 79.74 -52.65 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 172.73 -31.19 0.11 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -74.14 169.51 17.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 0.0 110.33 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -106.92 117.18 33.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.864 HD21 ' HG ' ' A' ' 67' ' ' SER . 14.2 mt -71.8 108.95 5.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 68.1 p -128.05 -45.65 1.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.397 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.15 120.03 11.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.519 ' CB ' HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -86.37 -36.18 19.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -67.44 -18.17 64.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.328 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.48 ' HD3' ' CE2' ' A' ' 82' ' ' TYR . 11.6 tttt -88.73 125.12 34.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.4 ' HA ' HG22 ' A' ' 29' ' ' THR . 0.9 OUTLIER -67.41 160.12 28.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.264 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.9 mt -68.55 -35.08 76.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.097 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -60.9 -42.24 97.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.437 ' HB3' ' CE ' ' A' ' 77' ' ' LYS . 17.2 m-20 -54.78 -29.65 54.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.48 ' CE2' ' HD3' ' A' ' 77' ' ' LYS . 6.2 m-85 -85.83 3.14 42.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 84.16 9.74 81.65 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.529 1.143 . . . . 0.0 111.043 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 50.9 mt -79.96 141.43 15.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.474 0.749 . . . . 0.0 109.339 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.1 mmt85 -133.98 -172.29 2.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -75.81 144.96 41.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 71.39 31.17 2.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -91.28 -179.05 5.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -134.18 116.13 15.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.597 HG22 ' HB3' ' A' ' 67' ' ' SER . 3.3 t -104.45 151.93 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.53 161.59 25.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.959 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.784 ' CZ ' HD21 ' A' ' 65' ' ' LEU . 0.7 OUTLIER -106.14 151.88 24.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.457 ' CG2' ' HB2' ' A' ' 64' ' ' HIS . 1.3 tt -135.77 161.34 38.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.532 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 7.8 tttt -116.33 134.53 54.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -49.38 167.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.1 134.7 55.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 140.0 -128.65 3.97 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -39.26 151.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 0.747 . . . . 0.0 110.273 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.0 pttm -172.15 131.92 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.54 141.54 28.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -149.29 65.78 0.39 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.442 1.089 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 62.69 5.87 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.528 1.804 . . . . 0.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.6 t 55.16 102.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.975 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.7 t 70.46 -61.75 0.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.96 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m 57.14 109.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 0.788 . . . . 0.0 110.0 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.98 -60.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.34 -176.42 14.35 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.6 t -178.74 83.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 0.0 109.956 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.4 p -137.69 108.54 6.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.17 . . . . 0.0 110.026 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.03 -160.56 30.45 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.29 166.94 26.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 0.796 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -118.93 97.49 5.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.367 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.696 HG11 HD21 ' A' ' 33' ' ' LEU . 98.9 t -87.17 114.52 26.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.4 mtt85 -83.06 117.37 22.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.331 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 19' ' ' VAL . 73.9 t -96.61 98.92 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.349 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 14' ' ' LYS . 3.2 m -84.9 91.59 8.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 108.257 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 13' ' ' CYS . 54.0 mtmt -37.95 -90.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.447 ' CG ' ' N ' ' A' ' 16' ' ' ASP . 2.0 ptt? -178.34 -49.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.447 ' N ' ' CG ' ' A' ' 15' ' ' MET . 18.8 t0 -130.52 32.17 4.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -135.99 -145.06 5.01 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -115.77 116.54 28.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 0.77 . . . . 0.0 110.319 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.3 OUTLIER -42.43 142.84 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.7 mtp -115.98 122.33 32.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 111.036 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 109.25 2.9 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.436 1.756 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.893 HG21 HG12 ' A' ' 37' ' ' ILE . 99.2 t -103.46 150.41 6.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.722 ' O ' HG13 ' A' ' 24' ' ' VAL . 79.4 t -113.78 153.0 15.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.722 HG13 ' O ' ' A' ' 23' ' ' VAL . 5.4 m -160.52 173.94 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.521 HG23 ' C ' ' A' ' 27' ' ' ASN . 21.9 m -73.82 152.77 7.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -21.94 1.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.521 ' C ' HG23 ' A' ' 25' ' ' VAL . 3.0 m-20 -131.24 63.58 1.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.465 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -91.05 178.17 6.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.579 1.175 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 77' ' ' LYS . 82.3 p -128.83 -174.5 3.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.364 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.617 ' HA ' HD21 ' A' ' 79' ' ' LEU . 86.8 t -64.14 -46.4 93.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.936 HD22 ' HE2' ' A' ' 35' ' ' LYS . 1.1 mt -52.56 -64.94 0.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.268 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 33' ' ' LEU . 1.2 m-20 -40.17 -55.29 2.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.965 HD12 HD13 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -39.81 -50.22 2.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.531 ' HG3' HD11 ' A' ' 65' ' ' LEU . 1.1 mptp? -67.09 -48.78 67.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.936 ' HE2' HD22 ' A' ' 31' ' ' LEU . 39.9 mttm -50.98 -53.39 33.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 40' ' ' TYR . . . -53.67 -63.19 1.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.893 HG12 HG21 ' A' ' 22' ' ' VAL . 55.2 mt -39.35 -35.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -76.14 -50.23 15.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -68.28 -6.49 24.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.434 ' O ' ' CB ' ' A' ' 44' ' ' LYS . 8.1 t80 -86.07 -39.05 17.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 111.029 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.4 t -94.94 -42.42 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -54.81 -70.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.442 ' HA ' HD23 ' A' ' 43' ' ' LEU . 3.9 mt -51.79 -52.21 50.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 40' ' ' TYR . 17.4 tttt -46.04 -59.19 3.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -55.49 -53.84 51.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.326 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.97 -49.07 4.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -61.3 -43.36 99.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.305 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -74.94 -5.01 41.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 154.06 -86.74 0.13 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.515 1.135 . . . . 0.0 110.983 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 129.59 150.41 7.02 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.478 HG13 ' N ' ' A' ' 52' ' ' GLN . 0.3 OUTLIER -170.62 177.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.478 ' N ' HG13 ' A' ' 51' ' ' VAL . 46.4 mm-40 -58.94 151.92 20.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.27 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 14.7 m80 -60.0 148.75 34.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.598 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.567 ' O ' HG22 ' A' ' 54' ' ' ILE . 4.5 mp -85.73 49.5 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.0 m 40.21 64.6 0.88 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 81.9 m95 -70.93 -45.88 63.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 107.988 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.2 m -41.0 -50.69 3.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.976 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -63.97 -50.74 67.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 110.977 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.7 t -50.77 -53.79 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.412 ' CZ3' ' HG2' ' A' ' 34' ' ' LYS . 40.8 m95 -65.38 -34.1 77.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 108.015 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -90.76 37.74 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.1 m -157.29 -47.06 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.389 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.444 ' CE1' ' HB2' ' A' ' 94' ' ' LYS . 72.4 m-85 -112.88 160.92 17.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.428 1.08 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -133.53 171.42 14.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.605 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.965 HD13 HD12 ' A' ' 33' ' ' LEU . 28.2 mt -102.66 138.29 39.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.13 166.54 15.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.412 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.918 ' OG ' HD21 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -167.99 128.55 1.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.022 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 67' ' ' SER . . . 69.17 -64.9 0.31 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 67' ' ' SER . . . 173.32 38.56 0.04 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.506 1.128 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -140.62 145.06 36.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -79.82 119.31 22.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.918 HD21 ' OG ' ' A' ' 67' ' ' SER . 21.7 mt -80.1 86.78 5.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.4 p -107.67 -59.93 1.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.411 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.05 121.1 3.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.659 ' CB ' HD12 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -91.26 -35.89 14.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.113 . . . . 0.0 109.284 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -12.64 56.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.245 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.414 ' O ' ' HB ' ' A' ' 29' ' ' THR . 23.4 tttt -90.34 149.0 22.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.96 146.32 23.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.145 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.617 HD21 ' HA ' ' A' ' 30' ' ' VAL . 38.1 mt -58.37 -42.12 86.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.58 -36.5 74.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.07 -15.41 63.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -95.65 -3.01 46.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 97.3 5.91 57.87 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.551 1.157 . . . . 0.0 111.022 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.678 HD11 ' OG ' ' A' ' 67' ' ' SER . 24.0 mt -92.53 103.89 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -102.62 -174.56 2.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -61.29 139.71 58.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 62.11 60.61 1.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -114.42 172.47 7.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -122.17 109.06 14.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.433 HG22 ' HB3' ' A' ' 67' ' ' SER . 6.1 t -107.28 147.44 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.12 167.11 15.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.02 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.634 ' CZ ' HD21 ' A' ' 65' ' ' LEU . 0.6 OUTLIER -102.25 138.95 38.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 111.03 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.7 tt -118.54 163.02 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.444 ' HB2' ' CE1' ' A' ' 63' ' ' TYR . 4.4 ttmt -114.08 147.15 39.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.403 ' N ' ' HG2' ' A' ' 94' ' ' LYS . 5.5 mtpt -69.51 -176.63 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.0 109.07 19.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 150.71 136.55 2.55 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.135 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -99.58 103.19 14.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.744 . . . . 0.0 110.249 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -113.95 130.92 56.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 40.3 p -66.52 139.08 57.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.031 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 151.87 85.3 0.05 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 115.15 4.2 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.463 1.77 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.5 t -95.03 101.3 13.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.992 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 62.7 p -104.12 -60.11 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.004 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.468 1.105 . . . . 0.0 111.024 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -153.06 88.13 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 0.742 . . . . 0.0 110.028 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t 64.52 119.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.973 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.9 87.95 0.11 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.477 1.11 . . . . 0.0 110.956 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.67 101.61 11.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.749 . . . . 0.0 109.983 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.07 78.2 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.007 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.38 -166.38 38.83 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.52 1.138 . . . . 0.0 111.004 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.438 ' CB ' ' HA ' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -146.49 174.1 11.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 110.996 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -118.08 99.68 7.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.384 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.76 HG11 HD21 ' A' ' 33' ' ' LEU . 99.4 t -93.4 107.42 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.2 mtt85 -76.76 139.11 40.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.535 HG21 ' CD1' ' A' ' 37' ' ' ILE . 89.9 t -120.27 83.97 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.0 t -67.64 80.73 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 108.312 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -40.16 153.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -48.93 -41.77 35.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.38 -55.58 31.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.103 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 158.63 -45.95 0.45 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.442 1.088 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -51.54 126.08 16.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.785 . . . . 0.0 110.275 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.6 p -104.04 136.35 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 109.324 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.2 mtp -112.55 122.7 35.69 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 108.78 2.8 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.44 1.758 . . . . 0.0 110.964 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.947 HG21 HG12 ' A' ' 37' ' ' ILE . 94.1 t -104.58 150.05 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 24' ' ' VAL . 24.9 t -115.7 145.38 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.516 ' HB ' ' HB2' ' A' ' 28' ' ' ALA . 3.5 m -151.84 179.61 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.3 m -75.53 150.17 6.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -44.28 -36.94 2.98 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -118.26 60.33 0.79 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.516 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . . . -77.87 178.54 7.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 78.6 p -131.21 -175.51 3.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.386 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 74' ' ' GLU . 88.0 t -64.07 -55.58 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.241 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 tp -54.52 -56.29 20.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.9 OUTLIER -41.2 -58.26 1.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.76 HD21 HG11 ' A' ' 10' ' ' VAL . 0.6 OUTLIER -39.04 -60.26 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.532 ' HG2' ' CZ3' ' A' ' 60' ' ' TRP . 0.3 OUTLIER -49.83 -56.32 10.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -43.29 -44.23 5.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 40' ' ' TYR . . . -64.07 -66.1 0.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.947 HG12 HG21 ' A' ' 22' ' ' VAL . 80.5 mt -39.83 -35.14 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.443 ' HG2' ' CD1' ' A' ' 56' ' ' TRP . 7.2 mt-30 -74.83 -55.73 5.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.748 ' O ' HD23 ' A' ' 43' ' ' LEU . 14.4 mmt85 -64.18 -10.49 23.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' ALA . 39.9 t80 -82.44 -41.3 20.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 39.0 t -93.33 -44.52 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -52.06 -63.54 1.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.34 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.772 HD12 ' C ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -51.75 -40.73 60.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.454 ' N ' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -51.33 -62.25 1.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.491 ' OE1' HD11 ' A' ' 54' ' ' ILE . 56.8 mt-30 -58.17 -49.27 77.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -38.61 -48.0 1.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.75 -55.9 4.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -80.56 -17.34 51.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 121.34 -65.69 0.47 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.53 1.144 . . . . 0.0 111.063 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 44.63 -155.45 0.32 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.6 p -117.91 129.99 73.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 0.744 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -57.19 120.81 8.73 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 65.26 141.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.631 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.673 ' O ' HG22 ' A' ' 54' ' ' ILE . 49.5 mt -128.52 61.86 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 59.4 m 39.89 61.27 1.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.959 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.443 ' CD1' ' HG2' ' A' ' 38' ' ' GLN . 77.5 m95 -76.19 -41.42 49.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 108.017 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.0 m -44.79 -53.95 6.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.071 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -55.21 -47.76 74.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 38.5 t -51.18 -55.41 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.347 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.532 ' CZ3' ' HG2' ' A' ' 34' ' ' LYS . 37.5 m95 -63.89 -27.51 69.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 107.993 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -91.4 36.41 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 91.3 m -157.26 -48.7 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.404 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.564 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 96.9 m-85 -119.61 159.52 24.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 -121.87 174.87 6.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.54 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.612 HD21 ' CZ ' ' A' ' 92' ' ' PHE . 59.0 mt -104.38 112.56 25.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.589 HG21 ' HB ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -111.64 162.28 15.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.406 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.599 ' HB2' HG22 ' A' ' 90' ' ' VAL . 41.4 t -137.34 -53.22 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.971 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -171.96 70.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.59 -35.35 3.63 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -76.92 101.45 5.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 110.284 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.9 mttp -76.24 111.16 11.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.903 HD21 HD11 ' A' ' 84' ' ' ILE . 16.4 mt -71.84 88.89 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 74' ' ' GLU . 69.2 p -112.45 -72.77 0.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.424 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.485 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -41.1 136.36 1.57 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 110.338 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.53 -44.15 7.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -61.59 -22.08 64.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.448 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 9.5 tttt -79.5 141.47 36.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.09 145.11 25.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.409 HD21 ' HA ' ' A' ' 30' ' ' VAL . 52.1 mt -57.08 -33.15 67.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 20.3 ttt-85 -62.99 -42.07 99.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -67.93 -15.98 63.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.448 ' CD2' ' HG2' ' A' ' 77' ' ' LYS . 0.7 OUTLIER -88.75 -13.1 40.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 111.016 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 103.3 3.04 47.9 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.903 HD11 HD21 ' A' ' 72' ' ' LEU . 62.5 mt -87.97 152.81 3.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.498 0.763 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.93 -175.23 5.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.438 ' HA ' ' CB ' ' A' ' 8' ' ' MET . 25.4 t30 -43.65 158.26 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 86' ' ' ASN . 24.2 mtt180 37.44 67.77 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.279 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.588 ' OD1' HG22 ' A' ' 10' ' ' VAL . 2.2 p-10 -110.49 140.62 44.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -95.61 110.78 22.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.599 HG22 ' HB2' ' A' ' 67' ' ' SER . 5.5 t -118.86 151.72 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.95 161.35 38.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.612 ' CZ ' HD21 ' A' ' 65' ' ' LEU . 2.5 m-85 -88.95 143.17 27.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.589 ' HB ' HG21 ' A' ' 66' ' ' THR . 13.4 tt -125.33 159.29 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.564 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 1.9 tttt -108.13 130.94 55.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -44.33 160.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.98 123.5 19.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 159.85 -72.81 0.22 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 76.67 151.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 0.781 . . . . 0.0 110.248 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.17 163.81 22.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.0 p -98.22 141.88 30.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.999 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -162.15 96.76 0.15 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -177.81 3.75 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.493 1.786 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.8 m -160.98 172.51 16.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.052 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.29 149.24 24.53 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.138 . . . . 0.0 109.975 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 111.023 179.945 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.94 107.88 18.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.749 . . . . 0.0 109.984 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.3 t -121.3 111.09 16.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 110.002 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.96 -65.0 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.542 1.151 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.91 167.07 17.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.0 109.991 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 t -161.7 124.55 3.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.049 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.15 -151.89 21.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.515 1.135 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.508 ' CG ' HG23 ' A' ' 24' ' ' VAL . 2.3 ptm -150.83 154.89 38.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.749 . . . . 0.0 111.017 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.8 m -102.75 105.11 15.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 110.394 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.765 HG11 HD21 ' A' ' 33' ' ' LEU . 88.4 t -101.36 119.76 50.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.247 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -88.95 148.0 24.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.0 t -117.65 140.78 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.5 t -110.71 86.02 2.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 108.302 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -56.28 143.53 33.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.59 -38.08 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -158.49 26.94 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -106.4 -177.6 23.33 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.501 1.126 . . . . 0.0 111.041 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.416 ' HG2' ' N ' ' A' ' 19' ' ' VAL . 11.6 tt0 -90.12 143.54 26.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.776 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.416 ' N ' ' HG2' ' A' ' 18' ' ' GLU . 53.3 t -54.03 140.5 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.5 mtp -128.53 122.45 21.76 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 108.52 2.74 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.487 1.782 . . . . 0.0 111.045 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.901 HG21 HG12 ' A' ' 37' ' ' ILE . 70.7 t -101.82 152.65 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.591 ' O ' HG13 ' A' ' 24' ' ' VAL . 14.8 p -118.11 146.1 23.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.591 HG13 ' O ' ' A' ' 23' ' ' VAL . 3.5 m -157.08 172.3 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.453 HG23 ' N ' ' A' ' 28' ' ' ALA . 11.0 m -72.31 153.6 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.84 -21.29 7.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -129.7 56.26 1.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.173 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.462 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -85.23 174.07 9.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.659 ' C ' HD21 ' A' ' 79' ' ' LEU . 11.6 p -130.39 177.76 7.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.428 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.524 ' N ' HD21 ' A' ' 79' ' ' LEU . 93.6 t -51.51 -55.64 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 tp -48.04 -57.09 6.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -44.55 -56.41 4.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.765 HD21 HG11 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -39.98 -54.68 2.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.732 ' HG3' HD11 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -55.48 -54.39 44.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.25 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -47.9 -54.59 12.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.406 ' HB1' HG13 ' A' ' 22' ' ' VAL . . . -53.93 -66.73 0.34 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.901 HG12 HG21 ' A' ' 22' ' ' VAL . 85.8 mt -40.03 -34.52 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -75.54 -50.98 13.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.342 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.791 ' O ' HD23 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -64.02 -10.78 23.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -84.8 -39.02 18.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.1 t -93.85 -40.7 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.2 tm0? -57.92 -69.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.791 HD23 ' O ' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -44.19 -39.8 4.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.245 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.431 ' N ' HD12 ' A' ' 43' ' ' LEU . 1.7 ttpt -57.48 -65.17 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -47.42 -46.8 26.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 110.288 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -49.66 62.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -60.27 -30.78 69.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 0.0 110.307 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -92.62 14.8 15.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.72 -53.12 0.83 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 123.59 147.77 7.37 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.429 HG22 ' H ' ' A' ' 52' ' ' GLN . 0.4 OUTLIER -89.95 179.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 0.738 . . . . 0.0 109.266 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.429 ' H ' HG22 ' A' ' 51' ' ' VAL . 4.7 mt-30 -56.23 -58.25 8.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -178.82 146.13 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.602 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.0 mt -120.08 120.76 64.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.01 61.36 3.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.975 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 13.8 m95 -56.74 -50.75 71.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 107.968 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 61' ' ' ARG . 27.5 m -39.47 -59.31 1.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.027 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -58.33 -44.87 88.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 111.037 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 40.1 t -54.78 -60.27 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.45 ' CZ3' ' HG2' ' A' ' 34' ' ' LYS . 51.9 m95 -62.59 -31.2 71.99 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.453 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 0.2 OUTLIER -89.64 44.89 1.23 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.489 HG22 ' CD2' ' A' ' 63' ' ' TYR . 1.6 m -162.85 -50.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.412 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.561 ' CE1' ' HB2' ' A' ' 94' ' ' LYS . 80.1 m-85 -108.95 163.92 12.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -138.88 165.24 27.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.611 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.732 HD11 ' HG3' ' A' ' 34' ' ' LYS . 11.8 mt -93.25 138.26 31.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -132.37 165.59 23.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 110.401 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.479 ' HB3' HD11 ' A' ' 84' ' ' ILE . 1.2 t -164.83 133.28 3.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.982 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 67' ' ' SER . . . 68.9 -65.35 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 67' ' ' SER . . . 170.91 38.66 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -138.43 125.08 20.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.757 . . . . 0.0 110.282 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -64.93 112.69 3.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.533 HD23 ' CD1' ' A' ' 82' ' ' TYR . 8.3 mt -81.25 79.34 7.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 109.343 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.7 p -97.78 -50.62 4.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.61 135.3 23.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.88 -42.71 6.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -62.25 -14.11 35.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.404 ' O ' ' HB ' ' A' ' 29' ' ' THR . 19.9 tttt -87.96 131.9 34.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -77.64 150.12 34.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.659 HD21 ' C ' ' A' ' 29' ' ' THR . 16.9 mt -60.64 -42.21 96.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.498 1.123 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.61 -29.87 62.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.27 -14.72 59.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.533 ' CD1' HD23 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -96.8 -0.8 47.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.569 1.168 . . . . 0.0 110.993 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.93 -8.45 70.43 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.555 1.159 . . . . 0.0 111.004 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.479 HD11 ' HB3' ' A' ' 67' ' ' SER . 76.4 mt -78.02 126.73 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.767 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 29.9 mmt85 -125.53 -174.06 2.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 110.265 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -63.49 142.63 58.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 61.34 54.56 3.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.41 ' OD2' HG23 ' A' ' 84' ' ' ILE . 41.8 t0 -116.62 172.3 7.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -122.9 117.65 26.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.9 t -104.33 155.26 5.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.45 160.51 26.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.996 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.566 ' CZ ' HD21 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -109.07 124.25 50.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.973 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.1 tt -107.45 167.19 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.561 ' HB2' ' CE1' ' A' ' 63' ' ' TYR . 10.8 tttt -116.55 141.0 48.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 96' ' ' LEU . 2.2 mttp -58.07 159.46 5.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 95' ' ' LYS . 1.7 tp 51.76 177.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -91.78 95.66 2.07 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.499 1.125 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -168.44 157.34 8.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 0.783 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.2 113.98 4.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.56 154.52 26.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.03 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -151.04 114.28 0.63 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.507 1.13 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -50.31 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.499 1.789 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.09 122.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.83 138.27 45.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.97 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 -179.942 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 p -147.33 -58.66 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 0.774 . . . . 0.0 110.004 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.54 105.22 2.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.0 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.94 -177.68 37.88 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.458 1.099 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.19 74.6 1.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.991 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.0 p -167.51 104.02 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.981 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.68 -150.45 19.02 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.418 ' CB ' ' HA ' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -153.74 169.88 22.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 111.0 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -122.58 100.29 6.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.39 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.408 ' N ' ' O ' ' A' ' 22' ' ' VAL . 91.4 t -91.63 138.85 18.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.482 ' HB3' ' CG2' ' A' ' 19' ' ' VAL . 12.7 mtp85 -101.81 148.61 25.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.452 HG21 HG12 ' A' ' 37' ' ' ILE . 94.2 t -126.39 80.28 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.5 t -69.77 86.1 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 108.303 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 16' ' ' ASP . 30.2 mtmt -44.34 167.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.482 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -66.05 68.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 111.018 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.482 ' CB ' ' O ' ' A' ' 15' ' ' MET . 9.7 t0 81.05 40.78 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -125.41 -145.79 6.58 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.533 1.146 . . . . 0.0 110.984 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -104.19 117.38 34.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 110.288 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.482 ' CG2' ' HB3' ' A' ' 11' ' ' ARG . 2.0 p -64.51 145.98 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.42 ' HB3' ' CE2' ' A' ' 40' ' ' TYR . 21.0 mtm -126.58 125.65 24.46 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 105.04 2.0 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 0.0 111.033 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.802 HG21 HG12 ' A' ' 37' ' ' ILE . 47.9 t -99.23 147.47 7.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.551 ' O ' HG13 ' A' ' 24' ' ' VAL . 71.9 t -115.83 147.96 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.551 HG13 ' O ' ' A' ' 23' ' ' VAL . 5.7 m -155.69 170.49 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.443 HG23 ' C ' ' A' ' 27' ' ' ASN . 34.0 m -63.82 155.26 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.04 -29.2 12.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.443 ' C ' HG23 ' A' ' 25' ' ' VAL . 2.0 m-80 -126.96 66.41 1.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.447 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -88.31 176.41 7.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 69.7 p -128.49 -173.81 3.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.443 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.506 HG21 ' O ' ' A' ' 74' ' ' GLU . 70.7 t -64.27 -44.31 97.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 31' ' ' LEU . 9.9 tp -55.04 -65.26 0.61 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.54 -56.13 2.66 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.769 HD12 HD13 ' A' ' 65' ' ' LEU . 0.3 OUTLIER -39.76 -65.88 0.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.528 ' HG2' ' CE3' ' A' ' 60' ' ' TRP . 1.4 mptp? -44.52 -63.44 0.9 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.85 -60.7 1.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.108 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.507 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -43.64 -65.75 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.802 HG12 HG21 ' A' ' 22' ' ' VAL . 71.1 mt -39.78 -37.46 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 109.284 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -77.07 -46.49 23.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.85 ' O ' HD23 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -68.27 -7.56 31.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.256 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.42 ' CE2' ' HB3' ' A' ' 20' ' ' MET . 69.1 t80 -86.52 -37.99 17.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.4 t -93.89 -39.28 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.41 -67.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.85 HD23 ' O ' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -47.71 -40.23 19.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.73 -65.29 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.424 ' O ' ' N ' ' A' ' 49' ' ' GLY . 88.0 mt-30 -47.96 -57.99 5.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.09 -50.31 2.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -58.14 -52.99 63.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -64.68 -19.34 65.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 45' ' ' GLN . . . 106.82 -53.57 0.61 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -39.81 155.8 0.03 OUTLIER Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.658 ' O ' HG13 ' A' ' 51' ' ' VAL . 11.6 p -170.63 85.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -96.96 -179.68 4.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.78 122.8 29.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.128 . . . . 0.0 109.634 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 48.9 mt -125.21 149.62 29.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.4 p -120.3 83.12 2.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.958 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -74.86 -45.83 40.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 107.993 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 61' ' ' ARG . 2.0 m -40.14 -60.98 0.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.966 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -45.4 -53.53 8.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.9 t -50.88 -52.56 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.528 ' CE3' ' HG2' ' A' ' 34' ' ' LYS . 73.4 m95 -64.58 -26.09 68.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 107.99 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 57' ' ' SER . 0.0 OUTLIER -93.13 19.36 8.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.277 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.444 HG22 ' CD2' ' A' ' 63' ' ' TYR . 1.4 m -140.48 -48.96 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.444 ' CD2' HG22 ' A' ' 62' ' ' THR . 98.7 m-85 -110.05 172.21 7.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -148.98 166.37 28.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.61 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.769 HD13 HD12 ' A' ' 33' ' ' LEU . 13.5 mt -93.86 131.87 38.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.6 HG22 ' O ' ' A' ' 91' ' ' SER . 1.1 t -106.58 171.83 7.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 110.381 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.885 ' HB3' HD21 ' A' ' 72' ' ' LEU . 8.8 t 171.25 143.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.003 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 67' ' ' SER . . . 39.98 60.89 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 39.26 35.88 0.51 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.111 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 67' ' ' SER . 0.6 OUTLIER -139.75 151.08 45.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 0.747 . . . . 0.0 110.318 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.94 135.7 33.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.885 HD21 ' HB3' ' A' ' 67' ' ' SER . 13.9 mt -95.3 87.94 4.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.4 p -111.99 -52.32 2.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 110.356 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.506 ' O ' HG21 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -48.31 128.44 14.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.56 -39.11 10.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.77 -25.12 68.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.44 1.088 . . . . 0.0 110.276 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -78.75 146.72 33.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -93.84 149.08 21.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 46.7 mt -56.4 -39.59 73.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -55.83 -42.62 75.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -61.87 -24.59 67.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -89.75 10.92 21.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.64 28.65 64.91 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.532 1.145 . . . . 0.0 110.959 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 10.7 mt -104.86 112.85 40.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 0.77 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -108.75 -174.44 2.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.256 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 87' ' ' ARG . 7.6 t30 -63.3 155.73 27.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.451 ' N ' ' OD1' ' A' ' 86' ' ' ASN . 15.0 mtt180 47.97 57.03 6.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.81 163.53 14.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -115.8 138.33 51.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.355 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.4 t -138.47 151.28 24.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.6 ' O ' HG22 ' A' ' 66' ' ' THR . 0.1 OUTLIER -126.33 166.28 17.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.023 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.545 ' CZ ' HD21 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -100.19 140.75 33.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.992 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.7 tt -114.89 160.08 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -105.81 135.11 47.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.81 153.49 4.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.7 tt -65.74 88.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -90.79 -151.25 26.01 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.43 144.74 51.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 0.743 . . . . 0.0 110.292 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.42 126.96 53.14 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.122 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 32.2 p -101.45 -20.5 15.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.991 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -167.04 98.32 0.14 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.493 1.12 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -36.11 2.72 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.47 1.773 . . . . 0.0 110.977 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 24.9 p 60.91 166.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.014 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 89.6 p -169.36 115.18 0.57 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.006 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.999 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.47 124.13 17.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 110.004 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 t -131.11 -56.7 1.03 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.995 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.36 -145.56 14.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.5 t -111.32 76.65 0.99 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 0.772 . . . . 0.0 109.971 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.21 143.55 19.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.97 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.82 -165.11 18.06 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.435 ' SD ' ' CG2' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -142.26 -178.23 5.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 0.788 . . . . 0.0 111.043 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -128.46 100.08 5.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.41 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.686 HG11 HD21 ' A' ' 33' ' ' LEU . 92.7 t -96.89 116.37 38.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.458 ' HB3' ' CG2' ' A' ' 19' ' ' VAL . 26.4 mtt-85 -86.79 141.81 28.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 110.274 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.82 HG21 ' CD1' ' A' ' 37' ' ' ILE . 73.0 t -120.99 86.61 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 14' ' ' LYS . 4.3 m -69.38 83.36 0.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 108.296 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 13' ' ' CYS . 47.9 mtmt -39.43 143.3 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.42 ' SD ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -41.04 -36.09 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -156.14 41.82 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -130.36 -168.61 12.31 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -94.33 113.96 25.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 0.739 . . . . 0.0 110.271 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' ' 11' ' ' ARG . 0.2 OUTLIER -40.24 136.48 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.473 ' HB3' ' CE2' ' A' ' 40' ' ' TYR . 25.4 mtm -118.48 123.34 29.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 105.53 2.1 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.797 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.988 HG21 HG12 ' A' ' 37' ' ' ILE . 47.2 t -100.81 150.1 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.457 ' O ' HG13 ' A' ' 24' ' ' VAL . 70.3 t -116.91 147.0 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 23' ' ' VAL . 21.4 m -154.17 165.33 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.42 HG23 ' C ' ' A' ' 27' ' ' ASN . 20.5 m -58.44 155.64 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -55.48 -18.23 6.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.279 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.42 ' C ' HG23 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -135.12 63.88 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.448 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -90.78 175.44 7.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.409 HG22 ' CG ' ' A' ' 78' ' ' LYS . 38.4 p -129.43 -176.82 4.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.387 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.522 HG21 ' O ' ' A' ' 74' ' ' GLU . 55.3 t -58.52 -42.18 83.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.1 tp -58.03 -64.94 0.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -40.27 -55.35 2.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.813 HD12 HD13 ' A' ' 65' ' ' LEU . 0.3 OUTLIER -40.19 -58.04 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -51.97 -61.47 2.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.25 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -41.37 -52.93 3.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.637 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -53.49 -67.93 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.988 HG12 HG21 ' A' ' 22' ' ' VAL . 86.3 mt -39.62 -33.4 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.402 ' N ' ' C ' ' A' ' 36' ' ' ALA . 8.8 mt-30 -76.42 -56.57 4.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.265 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.714 ' O ' HD23 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -59.83 -14.21 13.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.473 ' CE2' ' HB3' ' A' ' 20' ' ' MET . 93.5 t80 -77.12 -48.78 16.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.5 t -87.08 -48.3 15.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -46.74 -59.46 3.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.326 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.753 HD12 ' C ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -57.28 -39.99 76.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -51.14 -72.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 49' ' ' GLY . 90.3 mt-30 -44.78 -49.28 10.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -38.32 -47.48 1.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -70.77 -44.48 66.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -65.02 -15.64 62.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.282 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 45' ' ' GLN . . . 98.59 56.22 1.05 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.452 1.095 . . . . 0.0 111.032 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -126.01 172.16 17.83 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -102.53 145.86 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -70.34 61.96 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.288 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -155.68 105.8 2.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.552 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.602 ' O ' HG22 ' A' ' 54' ' ' ILE . 3.0 mt -129.92 29.64 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.3 p 51.69 39.29 24.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.443 ' HB3' ' CD1' ' A' ' 60' ' ' TRP . 22.4 m95 -55.26 -34.2 63.84 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 61' ' ' ARG . 39.4 m -50.21 -56.85 9.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.967 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -57.39 -49.22 76.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.6 t -52.37 -64.14 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.443 ' CD1' ' HB3' ' A' ' 56' ' ' TRP . 64.9 m95 -57.36 -26.81 61.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 108.009 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.412 ' O ' ' CG ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -95.78 35.14 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 64.3 m -156.54 -45.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.426 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.558 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 95.0 m-85 -122.57 147.81 45.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -118.77 175.71 5.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.622 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.813 HD13 HD12 ' A' ' 33' ' ' LEU . 42.0 mt -99.52 132.35 44.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.527 HG22 ' O ' ' A' ' 91' ' ' SER . 1.0 OUTLIER -122.6 169.72 10.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.707 ' HB2' HG22 ' A' ' 90' ' ' VAL . 1.0 OUTLIER -178.03 132.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.002 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 67' ' ' SER . . . 69.43 -64.69 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 67' ' ' SER . . . 169.58 39.66 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -143.22 133.49 24.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 110.273 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 61.7 mttt -72.14 113.76 9.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.774 HD23 ' CE1' ' A' ' 82' ' ' TYR . 14.3 mt -78.12 87.98 4.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.7 p -114.78 -52.51 2.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.452 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.522 ' O ' HG21 ' A' ' 30' ' ' VAL . 0.4 OUTLIER -48.03 124.2 7.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.338 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.63 -42.28 11.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.15 -32.37 68.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -74.36 147.02 42.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.409 ' CG ' HG22 ' A' ' 29' ' ' THR . 0.0 OUTLIER -97.93 150.57 21.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.7 mt -55.4 -37.64 67.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -59.12 -43.4 91.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.58 -11.93 61.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.774 ' CE1' HD23 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -90.84 -7.23 52.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.976 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 99.11 -5.88 59.53 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.517 1.135 . . . . 0.0 111.022 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.502 ' CG2' ' CG ' ' A' ' 88' ' ' ASP . 20.3 mt -81.55 148.99 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.71 -175.36 4.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -57.31 130.39 46.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 18.8 mtm180 65.15 73.3 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.322 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.515 ' OD1' HG22 ' A' ' 10' ' ' VAL . 6.2 p-10 -120.94 -175.6 3.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -128.11 115.99 19.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.707 HG22 ' HB2' ' A' ' 67' ' ' SER . 3.2 t -119.94 150.55 22.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.527 ' O ' HG22 ' A' ' 66' ' ' THR . 0.0 OUTLIER -136.62 166.59 23.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.958 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.557 ' CZ ' HD21 ' A' ' 65' ' ' LEU . 1.2 m-85 -100.51 127.28 46.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 63' ' ' TYR . 3.2 tt -107.7 166.49 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.558 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 35.0 tttt -109.77 134.64 51.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -54.31 178.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.359 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.47 111.74 9.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 132.18 133.65 3.46 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -121.39 89.31 3.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 0.75 . . . . 0.0 110.301 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.5 tptt -58.69 -65.95 0.58 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.06 -61.57 1.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.973 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 138.08 -150.15 20.8 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 109.7 2.98 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.475 1.777 . . . . 0.0 111.028 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.19 148.09 37.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 53.6 p -143.61 147.52 34.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.011 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.454 1.096 . . . . 0.0 110.973 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.4 t -132.2 85.59 2.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 0.743 . . . . 0.0 109.994 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.9 p -170.29 123.68 0.7 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.973 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.84 -72.91 0.02 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.523 1.139 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.07 -54.54 5.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 109.993 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.91 167.84 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.992 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.32 -154.35 24.0 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.46 1.1 . . . . 0.0 110.972 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.456 ' SD ' ' CG2' ' A' ' 24' ' ' VAL . 0.6 OUTLIER -147.33 173.08 12.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 0.76 . . . . 0.0 110.972 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -124.5 98.15 5.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.444 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.536 HG22 ' OD1' ' A' ' 88' ' ' ASP . 89.1 t -92.2 122.65 43.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.517 ' HB3' HG21 ' A' ' 19' ' ' VAL . 5.3 mtt180 -86.87 145.73 26.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 70.9 t -118.97 79.08 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 14' ' ' LYS . 28.6 t -68.49 88.16 0.33 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 108.297 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 13' ' ' CYS . 3.8 mtmt -38.09 -89.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.56 -43.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -67.96 -31.81 71.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 143.63 -23.0 2.17 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.532 1.145 . . . . 0.0 110.948 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -65.76 110.1 2.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 0.741 . . . . 0.0 110.319 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.517 HG21 ' HB3' ' A' ' 11' ' ' ARG . 3.1 p -111.99 139.17 37.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.8 mtp -113.97 122.74 34.09 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 109.45 2.93 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.508 1.794 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.87 HG21 HG12 ' A' ' 37' ' ' ILE . 67.5 t -102.17 149.63 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.451 ' C ' HG13 ' A' ' 24' ' ' VAL . 54.1 t -114.3 143.4 24.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.456 ' CG2' ' SD ' ' A' ' 8' ' ' MET . 35.1 m -154.81 159.29 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.633 HG22 ' HB2' ' A' ' 28' ' ' ALA . 25.7 m -48.49 156.66 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -17.2 13.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.521 ' C ' HG23 ' A' ' 25' ' ' VAL . 54.9 m-20 -137.72 62.62 1.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.633 ' HB2' HG22 ' A' ' 25' ' ' VAL . . . -89.04 176.05 7.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.483 ' C ' HD21 ' A' ' 79' ' ' LEU . 20.9 p -131.01 -176.09 3.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.432 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.435 ' N ' HD21 ' A' ' 79' ' ' LEU . 46.7 t -55.12 -47.29 77.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.1 tp -54.97 -62.38 1.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.448 ' HB3' ' HB1' ' A' ' 28' ' ' ALA . 3.7 t70 -40.46 -58.24 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.672 ' CD1' HD11 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -40.76 -58.26 1.7 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.535 ' HG3' HD11 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -54.62 -45.42 73.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -58.45 -37.47 75.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.531 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -67.57 -70.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.87 HG12 HG21 ' A' ' 22' ' ' VAL . 55.0 mt -39.97 -31.06 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.422 ' N ' ' C ' ' A' ' 36' ' ' ALA . 4.6 mt-30 -70.17 -56.69 6.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.772 ' O ' HD23 ' A' ' 43' ' ' LEU . 1.2 mpt_? -69.04 -6.57 28.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -86.58 -38.52 17.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 91.8 t -94.28 -38.4 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -61.32 -67.7 0.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.336 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.777 HD12 ' C ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -42.68 -38.8 2.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.41 ' N ' HD12 ' A' ' 43' ' ' LEU . 2.3 tttp -60.5 -71.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.599 ' OE1' ' CD2' ' A' ' 53' ' ' HIS . 51.9 mt-30 -44.07 -36.82 2.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.07 -54.7 22.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -81.76 -21.52 37.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.133 . . . . 0.0 110.264 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -90.98 20.46 4.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 110.301 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 154.09 -80.53 0.18 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.32 -49.5 0.85 Allowed Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.476 ' CG1' ' O ' ' A' ' 51' ' ' VAL . 0.5 OUTLIER -45.45 115.89 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.767 . . . . 0.0 109.251 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -51.26 135.97 25.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' HIS . . . . . 0.599 ' CD2' ' OE1' ' A' ' 45' ' ' GLN . 0.3 OUTLIER -172.83 50.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.568 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.2 mt -134.84 139.79 46.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.528 ' O ' HG23 ' A' ' 59' ' ' VAL . 21.6 p -115.6 71.06 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.989 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 26.8 m95 -64.82 -35.79 82.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 108.011 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.456 ' O ' ' CB ' ' A' ' 61' ' ' ARG . 0.2 OUTLIER -47.09 -59.36 3.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.969 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -64.1 -49.28 72.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 110.967 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 55' ' ' SER . 54.9 t -46.89 -66.67 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.432 ' CZ3' ' HG2' ' A' ' 34' ' ' LYS . 44.7 m95 -57.39 -37.94 73.48 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.456 ' CB ' ' O ' ' A' ' 57' ' ' SER . 0.3 OUTLIER -88.48 43.64 1.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.264 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.2 m -157.52 -46.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 110.359 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.487 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 96.7 m-85 -124.06 168.89 12.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -138.19 176.12 8.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.598 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.535 HD11 ' HG3' ' A' ' 34' ' ' LYS . 21.9 mt -101.7 134.28 45.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.246 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.13 168.61 15.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.396 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.714 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 0.2 OUTLIER 176.3 126.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.025 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.714 ' HB3' ' O ' ' A' ' 67' ' ' SER . . . 85.21 -47.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.251 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 157.02 -23.56 0.47 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.78 160.7 22.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 0.759 . . . . 0.0 110.358 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -97.81 118.81 35.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.1 mt -74.88 85.64 2.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.4 p -116.21 -8.8 11.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.145 . . . . 0.0 110.399 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.416 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 1.5 mp0 -89.67 109.12 20.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.291 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -76.8 -27.52 55.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.5 mmt85 -81.88 -20.41 38.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.518 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 9.5 tttt -84.67 124.68 31.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.412 ' CG ' HG22 ' A' ' 29' ' ' THR . 5.0 mttt -73.79 151.07 40.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.483 HD21 ' C ' ' A' ' 29' ' ' THR . 17.2 mt -59.83 -39.27 84.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -59.77 -41.65 91.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -64.53 -18.15 64.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.518 ' CD2' ' HG2' ' A' ' 77' ' ' LYS . 0.8 OUTLIER -92.99 -1.18 56.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 91.29 8.35 64.51 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.545 1.153 . . . . 0.0 111.027 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.508 ' CG2' ' CG ' ' A' ' 88' ' ' ASP . 47.6 mt -93.15 111.41 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.76 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -102.4 -175.0 2.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.152 . . . . 0.0 110.273 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -66.1 144.65 56.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.77 32.71 6.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.345 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.536 ' OD1' HG22 ' A' ' 10' ' ' VAL . 4.7 p-10 -85.87 -173.45 4.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -137.65 120.12 15.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.475 HG22 ' HB2' ' A' ' 67' ' ' SER . 2.8 t -115.8 149.98 17.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.27 168.99 13.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.017 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.525 ' CE1' ' CD2' ' A' ' 65' ' ' LEU . 0.4 OUTLIER -107.34 130.23 54.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.969 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.8 tt -107.09 163.24 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.487 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 7.0 tttt -110.77 131.13 55.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -53.21 -179.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -118.14 84.22 2.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.26 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 109.71 124.27 4.8 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 179.41 153.14 0.43 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 0.785 . . . . 0.0 110.357 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.42 134.57 49.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.82 166.86 10.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.02 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 128.98 79.09 0.23 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 152.19 40.35 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.5 1.789 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 92.2 p -97.14 87.44 4.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.117 . . . . 0.0 109.966 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 32.2 t 51.76 73.49 0.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.969 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.543 1.152 . . . . 0.0 110.975 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.46 167.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 0.0 109.998 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.0 t -59.9 118.01 5.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.63 179.14 34.36 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.39 95.25 1.02 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 0.746 . . . . 0.0 109.998 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.4 m -119.54 153.52 35.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.027 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.44 -139.2 10.45 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.86 -176.91 6.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 111.063 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -125.38 100.08 6.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.385 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.721 HG11 HD21 ' A' ' 33' ' ' LEU . 88.4 t -98.42 109.55 24.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.463 ' HB3' HG13 ' A' ' 19' ' ' VAL . 80.4 mtt180 -79.62 116.21 19.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.47 HG21 HD13 ' A' ' 37' ' ' ILE . 4.2 p -91.77 143.49 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.3 t -111.75 93.22 4.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 108.306 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -48.8 158.21 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -54.53 -46.64 73.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -145.99 47.02 1.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -132.92 -156.44 8.14 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.528 1.143 . . . . 0.0 110.958 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.74 164.03 11.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 0.753 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.463 HG13 ' HB3' ' A' ' 11' ' ' ARG . 55.1 t -66.95 136.14 27.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.401 ' HB2' HG12 ' A' ' 12' ' ' VAL . 4.3 mtp -123.92 122.32 26.31 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 107.66 2.54 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.501 1.79 . . . . 0.0 110.947 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.811 HG21 HG12 ' A' ' 37' ' ' ILE . 79.3 t -101.55 148.98 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 109.364 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.595 ' O ' HG13 ' A' ' 24' ' ' VAL . 13.1 p -115.56 147.42 18.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.713 HG12 ' OD1' ' A' ' 32' ' ' ASP . 16.0 m -157.61 166.18 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.453 HG23 ' C ' ' A' ' 27' ' ' ASN . 32.7 m -65.11 152.95 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.2 -27.44 8.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.453 ' C ' HG23 ' A' ' 25' ' ' VAL . 19.1 m-20 -124.6 59.21 1.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.474 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -85.58 175.87 8.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.584 ' C ' HD21 ' A' ' 79' ' ' LEU . 18.8 p -131.08 178.89 6.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.377 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.477 ' N ' HD21 ' A' ' 79' ' ' LEU . 73.9 t -53.89 -48.52 62.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.611 HD22 ' CE ' ' A' ' 35' ' ' LYS . 1.2 mt -54.08 -54.16 43.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.713 ' OD1' HG12 ' A' ' 24' ' ' VAL . 7.7 t70 -46.61 -54.36 9.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.752 HD12 HD13 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -40.17 -53.15 2.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.559 ' HG2' ' CZ3' ' A' ' 60' ' ' TRP . 1.0 OUTLIER -63.29 -55.63 23.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.611 ' CE ' HD22 ' A' ' 31' ' ' LEU . 39.4 mttt -49.49 -27.1 3.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.521 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -78.74 -67.07 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.811 HG12 HG21 ' A' ' 22' ' ' VAL . 58.9 mt -40.64 -29.81 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.439 ' N ' ' C ' ' A' ' 36' ' ' ALA . 7.5 mt-30 -76.97 -49.3 15.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 36' ' ' ALA . 24.7 mmt180 -68.24 -6.72 25.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.428 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 5.1 t80 -85.64 -39.11 17.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.7 t -94.92 -43.3 12.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.8 -70.8 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 mt -52.19 -59.45 4.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 40' ' ' TYR . 82.7 tttt -40.52 -63.97 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -47.29 -51.32 19.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.587 1.179 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.96 -56.43 7.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.323 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -62.23 -21.25 65.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -103.51 17.34 24.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.598 1.186 . . . . 0.0 110.29 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 55.21 74.83 0.28 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -149.09 108.8 0.42 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.3 p -72.37 126.94 33.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 109.328 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -47.54 136.86 9.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.481 1.113 . . . . 0.0 110.273 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -147.37 29.5 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.644 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 64.4 mt -122.04 133.06 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.34 69.37 5.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.042 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -48.0 -37.95 15.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 107.998 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -42.87 -61.58 1.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.996 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.534 ' CE1' ' OG1' ' A' ' 62' ' ' THR . 27.8 t80 -62.73 -42.52 99.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 111.038 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 54.4 t -47.35 -53.62 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.559 ' CZ3' ' HG2' ' A' ' 34' ' ' LYS . 29.1 m95 -68.88 -27.14 65.53 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.57 26.64 2.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.345 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.639 HG22 ' CD2' ' A' ' 63' ' ' TYR . 1.2 m -150.65 -47.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.438 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.639 ' CD2' HG22 ' A' ' 62' ' ' THR . 97.1 m-85 -113.2 160.29 18.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.949 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.561 ' HB2' HG23 ' A' ' 93' ' ' ILE . 61.4 m-70 -126.73 177.43 6.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.606 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.752 HD13 HD12 ' A' ' 33' ' ' LEU . 31.4 mt -108.4 117.14 33.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.418 ' O ' HG13 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -115.43 162.97 16.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.39 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.6 t -133.5 -61.74 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.008 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -162.26 73.51 0.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.76 -36.07 3.52 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.512 1.133 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -80.74 117.03 21.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.763 . . . . 0.0 110.238 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.483 ' HE2' HD13 ' A' ' 93' ' ' ILE . 39.8 mttt -82.57 115.78 21.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.567 HD21 HD11 ' A' ' 84' ' ' ILE . 13.7 mt -76.98 92.0 3.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 76.0 p -120.08 -58.54 1.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.87 121.65 4.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.337 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.437 ' HB3' ' CG ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -91.62 -38.85 12.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -63.1 -12.22 25.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.26 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -97.06 138.61 34.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.098 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -81.45 154.04 26.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.584 HD21 ' C ' ' A' ' 29' ' ' THR . 19.6 mt -63.74 -41.45 98.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -59.31 -24.15 63.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.262 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.58 -8.57 59.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -106.59 -1.4 22.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 98.72 -11.74 62.77 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.567 HD11 HD21 ' A' ' 72' ' ' LEU . 73.1 mt -76.57 124.17 34.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 85' ' ' ARG . 5.6 mmm180 -124.47 -175.49 3.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.324 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -59.37 144.88 45.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.98 57.23 1.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -118.73 172.36 7.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -132.81 110.63 10.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.418 HG13 ' O ' ' A' ' 66' ' ' THR . 3.9 t -103.24 149.09 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -120.45 168.68 11.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.012 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.538 ' CZ ' HD21 ' A' ' 65' ' ' LEU . 3.5 m-85 -101.2 163.05 12.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.105 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.561 HG23 ' HB2' ' A' ' 64' ' ' HIS . 7.6 tt -143.42 155.77 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.7 tttt -107.69 136.22 47.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -62.11 -177.0 0.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -97.2 88.13 4.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -140.01 -152.84 5.91 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.505 1.128 . . . . 0.0 110.961 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 100' ' ' SER . 1.6 tt0 -142.08 85.25 1.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 0.773 . . . . 0.0 110.306 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.6 mmtp 69.4 -68.55 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.258 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 98' ' ' GLN . 0.4 OUTLIER 64.4 116.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.97 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 71.13 97.35 0.06 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.524 1.14 . . . . 0.0 110.973 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 88.27 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 22.8 t -167.89 -58.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.966 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 13.0 p -165.13 -175.36 3.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.05 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 179.97 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.02 -57.82 1.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 0.765 . . . . 0.0 110.011 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -47.51 109.42 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.1 -172.03 26.04 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.118 . . . . 0.0 111.034 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.6 p -171.04 91.42 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 0.771 . . . . 0.0 110.066 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.13 77.64 1.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 110.017 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.06 -144.67 10.29 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -147.97 170.68 17.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 111.027 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -120.81 95.5 4.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.396 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.829 HG11 HD21 ' A' ' 33' ' ' LEU . 91.1 t -87.31 112.6 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.463 ' HB3' ' CG2' ' A' ' 19' ' ' VAL . 41.1 mtt180 -84.18 134.05 34.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.351 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.691 HG21 HD11 ' A' ' 37' ' ' ILE . 61.8 t -117.49 91.28 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 14' ' ' LYS . 3.5 m -74.35 84.77 1.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 108.268 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 13' ' ' CYS . 35.1 mtmt -38.55 152.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -30.56 20.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -69.93 -51.74 30.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 157.66 -54.63 0.39 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -42.49 119.01 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 0.753 . . . . 0.0 110.282 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.463 ' CG2' ' HB3' ' A' ' 11' ' ' ARG . 1.0 OUTLIER -101.14 134.86 39.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.558 1.161 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.441 ' HB3' ' CZ ' ' A' ' 40' ' ' TYR . 1.2 mtp -113.28 123.05 34.14 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 107.26 2.44 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.498 1.788 . . . . 0.0 110.955 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.901 HG21 HG12 ' A' ' 37' ' ' ILE . 45.7 t -103.34 146.88 10.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.3 t -117.2 142.13 32.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.462 ' HB ' ' CB ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -145.9 -176.18 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.458 HG23 ' C ' ' A' ' 27' ' ' ASN . 34.1 m -81.64 146.1 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -44.8 -27.92 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.458 ' C ' HG23 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -122.82 60.81 1.02 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.462 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -92.93 170.49 9.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 29.4 p -130.91 -176.27 3.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.412 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 74' ' ' GLU . 48.2 t -57.01 -41.75 77.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 tp -54.52 -68.34 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.6 OUTLIER -42.87 -47.84 5.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.829 HD21 HG11 ' A' ' 10' ' ' VAL . 0.6 OUTLIER -38.76 -70.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.562 ' HG2' ' CE3' ' A' ' 60' ' ' TRP . 0.8 OUTLIER -49.45 -56.38 9.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -42.2 -42.93 3.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.621 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -67.36 -67.63 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.901 HG12 HG21 ' A' ' 22' ' ' VAL . 96.8 mt -39.81 -30.76 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.437 ' N ' ' C ' ' A' ' 36' ' ' ALA . 9.2 mt-30 -76.1 -49.68 16.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.806 ' O ' HD23 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -67.67 -8.1 32.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.332 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.473 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 2.8 t80 -85.17 -39.19 18.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.9 t -93.49 -41.6 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.38 -68.86 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.806 HD23 ' O ' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -43.47 -41.13 4.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.461 ' N ' HD12 ' A' ' 43' ' ' LEU . 6.4 ttpt -60.9 -70.76 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.25 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 48' ' ' GLU . 74.6 mt-30 -44.45 -52.54 7.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.91 -55.18 7.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.325 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -57.41 -24.11 53.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.312 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 45' ' ' GLN . 16.0 mt-10 -97.68 17.49 17.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.87 -57.25 0.55 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 126.6 142.22 5.61 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.473 HG22 ' H ' ' A' ' 52' ' ' GLN . 0.7 OUTLIER -84.84 177.32 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 0.773 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.473 ' H ' HG22 ' A' ' 51' ' ' VAL . 17.0 mm-40 -54.97 -77.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -162.02 141.21 9.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.575 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 88.1 mt -115.69 143.49 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.1 61.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.491 ' HB3' ' CD1' ' A' ' 60' ' ' TRP . 24.5 m95 -52.65 -46.79 67.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 107.996 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.06 -60.23 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.938 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -62.46 -52.33 63.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 47.8 t -47.63 -49.24 10.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.562 ' CE3' ' HG2' ' A' ' 34' ' ' LYS . 41.9 m95 -68.12 -31.94 71.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 107.986 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.59 39.95 0.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.34 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 83.8 m -155.2 -48.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.417 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.475 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 80.1 m-85 -116.9 153.7 32.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.812 ' ND1' HG22 ' A' ' 73' ' ' THR . 96.4 m-70 -129.89 170.23 14.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.603 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.683 ' HG ' HD12 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -89.25 113.32 24.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.323 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.617 HG22 ' O ' ' A' ' 91' ' ' SER . 0.0 OUTLIER -105.81 161.97 13.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 110.399 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.598 ' HB2' HG22 ' A' ' 90' ' ' VAL . 46.7 t -158.09 -76.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.006 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.69 31.14 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.98 -27.61 7.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.09 116.59 18.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 0.756 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.433 ' HG2' HG21 ' A' ' 93' ' ' ILE . 40.2 mttt -66.74 112.35 4.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.716 HD21 HD11 ' A' ' 84' ' ' ILE . 4.8 mt -72.24 98.76 2.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.812 HG22 ' ND1' ' A' ' 64' ' ' HIS . 40.9 p -122.05 -42.74 2.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.41 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.491 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 2.2 mm-40 -54.32 116.93 2.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -78.61 -24.7 45.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.4 mmt85 -79.17 -28.54 42.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.465 ' HG2' ' CE2' ' A' ' 82' ' ' TYR . 22.6 tttt -81.78 120.82 25.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -69.32 155.94 39.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.539 HD11 HD23 ' A' ' 33' ' ' LEU . 83.0 mt -63.0 -33.24 74.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.44 -32.81 73.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.44 1.087 . . . . 0.0 110.309 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -65.96 -24.41 66.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.515 ' CD1' HD23 ' A' ' 72' ' ' LEU . 9.2 m-85 -88.68 -7.02 57.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.21 23.72 21.38 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.716 HD11 HD21 ' A' ' 72' ' ' LEU . 12.4 mt -100.52 116.9 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.764 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 51.7 mmt-85 -113.84 -175.37 2.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.404 ' OD1' ' C ' ' A' ' 86' ' ' ASN . 4.6 t-20 -60.46 138.37 58.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 109.305 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.6 mtt85 63.95 62.03 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.42 ' CG ' HG23 ' A' ' 84' ' ' ILE . 8.1 t70 -110.77 174.87 5.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -123.04 108.93 13.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.318 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.598 HG22 ' HB2' ' A' ' 67' ' ' SER . 5.7 t -114.07 157.84 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.617 ' O ' HG22 ' A' ' 66' ' ' THR . 0.6 OUTLIER -146.61 164.92 31.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.004 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -96.91 119.94 36.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.611 ' HB ' HG21 ' A' ' 66' ' ' THR . 20.3 tt -106.48 159.16 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.475 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 7.4 tttt -101.47 128.45 47.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.408 ' HD2' ' NE2' ' A' ' 64' ' ' HIS . 43.8 mtpt -50.71 160.58 0.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.48 90.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 95' ' ' LYS . . . -119.9 -142.63 6.72 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.514 1.134 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.87 -62.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.754 . . . . 0.0 110.306 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -112.93 135.98 53.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -176.95 149.65 0.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -174.16 97.74 0.12 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.444 1.09 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 130.92 13.75 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.519 1.8 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 12.7 t -65.49 140.48 58.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.96 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.8 t -158.39 153.39 25.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.982 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.937 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m -155.06 169.28 24.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 0.77 . . . . 0.0 110.013 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 p -164.39 172.71 13.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.972 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.78 -129.07 2.56 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.512 1.132 . . . . 0.0 110.968 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.42 89.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 0.803 . . . . 0.0 110.02 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.9 t 69.32 141.45 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.038 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.417 ' CA ' ' O ' ' A' ' 24' ' ' VAL . . . 111.93 -160.63 13.09 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.536 1.148 . . . . 0.0 110.963 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.415 ' HA ' ' OD1' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -146.08 175.53 10.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 111.027 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -120.26 95.55 4.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.404 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.436 HG11 HD21 ' A' ' 33' ' ' LEU . 64.9 t -86.91 119.35 34.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.536 ' HB3' HG11 ' A' ' 19' ' ' VAL . 8.3 mtt-85 -92.13 108.77 20.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.57 HG13 ' CD1' ' A' ' 92' ' ' PHE . 41.1 t -74.16 136.6 24.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.475 ' CB ' ' HA ' ' A' ' 91' ' ' SER . 0.1 OUTLIER -106.4 79.75 1.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 108.305 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.7 mtmt -50.41 177.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.1 ptp -69.45 63.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 111.036 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.6 t0 73.5 27.36 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.339 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -103.21 -145.66 15.67 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.469 1.106 . . . . 0.0 111.039 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -97.91 131.24 44.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.75 . . . . 0.0 110.342 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.536 HG11 ' HB3' ' A' ' 11' ' ' ARG . 78.9 t -68.23 145.7 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.3 mtp -122.86 122.33 27.12 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 108.4 2.71 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.472 1.775 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.849 HG21 HG12 ' A' ' 37' ' ' ILE . 60.1 t -103.77 146.19 11.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.1 t -114.1 139.88 37.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.417 ' O ' ' CA ' ' A' ' 7' ' ' GLY . 3.1 m -149.41 176.66 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.455 HG23 ' C ' ' A' ' 27' ' ' ASN . 31.5 m -79.3 144.68 10.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -43.27 -26.57 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.302 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.455 ' C ' HG23 ' A' ' 25' ' ' VAL . 6.5 p30 -128.12 65.29 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -92.34 177.26 6.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 72.7 p -131.15 -175.86 3.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.402 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.552 ' HA ' HD21 ' A' ' 79' ' ' LEU . 98.7 t -58.18 -40.96 79.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 tp -56.73 -64.92 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -41.8 -52.88 3.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.714 HD23 ' CD1' ' A' ' 79' ' ' LEU . 0.6 OUTLIER -38.16 -71.66 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.693 ' HG3' HD21 ' A' ' 65' ' ' LEU . 0.3 OUTLIER -50.46 -53.97 25.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -43.56 -50.01 7.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.479 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -60.49 -68.44 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.849 HG12 HG21 ' A' ' 22' ' ' VAL . 95.9 mt -39.05 -32.62 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.415 ' N ' ' C ' ' A' ' 36' ' ' ALA . 4.3 mt-30 -77.05 -50.04 13.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 110.288 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 36' ' ' ALA . 1.3 tpm_? -67.58 -6.71 21.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.427 ' O ' ' CB ' ' A' ' 44' ' ' LYS . 6.9 t80 -86.73 -38.96 16.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.1 t -94.85 -41.34 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -70.89 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 43' ' ' LEU . 3.8 mt -51.93 -59.27 4.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 40' ' ' TYR . 53.6 tttt -41.48 -65.29 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 49' ' ' GLY . 80.4 mt-30 -47.54 -47.82 27.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.67 -49.66 14.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.262 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -69.8 -31.81 69.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 49' ' ' GLY . 12.6 mt-10 -95.03 20.38 9.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 45' ' ' GLN . . . 37.72 84.42 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.123 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -91.98 -173.48 42.34 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.413 HG23 ' N ' ' A' ' 52' ' ' GLN . 2.5 m -58.81 -168.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.413 ' N ' HG23 ' A' ' 51' ' ' VAL . 38.5 mm-40 -59.61 -68.58 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.273 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -163.78 170.54 16.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.64 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.41 HD11 ' OE1' ' A' ' 45' ' ' GLN . 3.5 mt -122.12 143.89 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.468 ' O ' HG23 ' A' ' 59' ' ' VAL . 0.2 OUTLIER -81.6 71.81 8.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.982 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 54.6 m95 -60.53 -34.5 74.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 108.019 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.26 -58.52 5.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.968 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.469 ' CD1' ' C ' ' A' ' 58' ' ' TYR . 1.6 t80 -60.39 -35.59 76.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 55' ' ' SER . 79.1 t -62.06 -64.65 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.557 ' CE3' ' HG2' ' A' ' 34' ' ' LYS . 48.9 m95 -58.1 -24.31 58.16 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.568 1.167 . . . . 0.0 108.021 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -91.21 32.44 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 53.5 m -151.87 -45.52 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.408 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.496 ' CE1' ' HB2' ' A' ' 94' ' ' LYS . 94.3 m-85 -116.43 167.9 10.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.404 ' C ' HD13 ' A' ' 65' ' ' LEU . 74.1 m-70 -147.1 166.16 27.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.581 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.693 HD21 ' HG3' ' A' ' 34' ' ' LYS . 0.2 OUTLIER -88.63 118.16 28.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.532 ' O ' HG13 ' A' ' 90' ' ' VAL . 0.5 OUTLIER -116.14 165.06 13.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.429 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.5 t -143.59 -71.11 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.973 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.24 56.59 1.84 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.26 -34.02 3.92 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.547 1.154 . . . . 0.0 110.977 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.481 ' HB3' ' CD1' ' A' ' 82' ' ' TYR . 1.2 mt-10 -67.18 99.52 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -69.81 110.5 4.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.879 HD21 HD11 ' A' ' 84' ' ' ILE . 11.3 mt -66.88 87.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 79.1 p -118.11 -38.45 3.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.428 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.48 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.7 OUTLIER -62.81 114.43 3.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.341 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -77.34 -32.16 54.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -73.81 -26.67 60.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.469 ' HG2' ' CE2' ' A' ' 82' ' ' TYR . 11.9 tttt -80.06 137.85 36.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.49 152.75 23.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.714 ' CD1' HD23 ' A' ' 33' ' ' LEU . 25.1 mt -66.18 -33.23 75.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -63.38 -38.45 91.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.37 -20.85 66.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.481 ' CD1' ' HB3' ' A' ' 70' ' ' GLU . 5.9 m-85 -91.07 11.1 24.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 77.07 19.88 76.6 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.879 HD11 HD21 ' A' ' 72' ' ' LEU . 21.0 mt -99.84 104.25 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 0.76 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -100.91 -174.41 2.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.415 ' OD1' ' HA ' ' A' ' 8' ' ' MET . 5.6 t30 -66.16 154.93 38.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.51 40.88 31.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.364 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -102.3 158.56 16.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -113.55 112.14 23.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' ' 66' ' ' THR . 25.4 t -97.76 147.72 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.475 ' HA ' ' CB ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -110.49 168.52 9.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.994 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.57 ' CD1' HG13 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -113.81 132.85 55.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 63' ' ' TYR . 12.5 tt -124.14 152.85 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.496 ' HB2' ' CE1' ' A' ' 63' ' ' TYR . 4.2 ttmt -105.05 133.86 49.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.332 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -48.45 173.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.72 96.83 9.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 139.53 142.53 4.25 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.516 1.135 . . . . 0.0 111.047 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.79 166.97 16.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 110.345 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.4 -62.26 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.9 t 63.8 108.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 110.004 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -141.77 100.83 0.27 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.485 1.116 . . . . 0.0 110.959 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 175.2 11.55 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.506 1.793 . . . . 0.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.16 112.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.978 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.1 t -83.25 -59.12 2.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.993 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.451 1.095 . . . . 0.0 110.981 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.5 m -74.23 101.81 4.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 0.77 . . . . 0.0 110.003 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.5 m -105.88 -56.15 2.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 0.0 109.959 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.9 -151.37 5.42 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.453 1.096 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.2 p -145.08 131.62 19.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.761 . . . . 0.0 110.009 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.5 t -160.1 152.69 21.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.973 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.1 -163.63 12.35 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.0 175.81 9.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -121.01 104.41 9.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.432 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.563 ' HB ' HD21 ' A' ' 33' ' ' LEU . 87.1 t -99.96 109.94 25.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.458 ' HB3' ' CG2' ' A' ' 19' ' ' VAL . 4.3 mtt180 -78.91 137.9 37.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.342 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.527 HG21 ' CD1' ' A' ' 37' ' ' ILE . 53.2 t -120.16 88.94 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 14' ' ' LYS . 8.8 t -70.89 83.33 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 108.291 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 13' ' ' CYS . 56.7 mtmt -39.49 146.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.479 ' SD ' ' CZ ' ' A' ' 63' ' ' TYR . 2.6 ptp -44.51 -52.68 7.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 111.055 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -138.58 55.36 1.74 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.32 -167.98 14.47 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -94.55 121.21 35.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 0.76 . . . . 0.0 110.324 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' ' 11' ' ' ARG . 1.5 p -40.81 149.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.5 mtp -130.96 122.74 19.53 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 110.944 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 106.6 2.31 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.526 1.803 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.831 HG21 HG12 ' A' ' 37' ' ' ILE . 56.9 t -102.43 148.43 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.49 ' O ' HG13 ' A' ' 24' ' ' VAL . 12.1 p -114.13 145.55 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.49 HG13 ' O ' ' A' ' 23' ' ' VAL . 15.7 m -154.51 167.05 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.47 HG22 ' HB2' ' A' ' 28' ' ' ALA . 17.0 m -61.28 154.73 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -53.67 -19.64 4.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.407 ' C ' HG23 ' A' ' 25' ' ' VAL . 36.5 p30 -135.3 66.05 1.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.47 ' HB2' HG22 ' A' ' 25' ' ' VAL . . . -95.43 166.97 11.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.8 p -113.93 -174.0 2.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.422 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.778 HG12 ' HE2' ' A' ' 34' ' ' LYS . 88.7 t -60.48 -64.65 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.426 HD21 ' HE3' ' A' ' 35' ' ' LYS . 19.3 tp -40.86 -58.25 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 31' ' ' LEU . 0.8 OUTLIER -39.51 -59.9 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.337 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.799 ' CD1' HD11 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -45.29 -48.76 12.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.778 ' HE2' HG12 ' A' ' 30' ' ' VAL . 25.9 mtmt -59.68 -44.95 93.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.426 ' HE3' HD21 ' A' ' 31' ' ' LEU . 32.5 mttt -57.5 -50.79 71.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.403 ' CB ' ' CG1' ' A' ' 22' ' ' VAL . . . -56.37 -62.34 1.79 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.831 HG12 HG21 ' A' ' 22' ' ' VAL . 61.9 mt -39.82 -33.2 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -76.97 -54.03 7.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.981 ' O ' HD23 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -63.51 -11.4 23.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.323 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.483 ' HD1' HG23 ' A' ' 41' ' ' VAL . 56.1 t80 -82.23 -40.29 21.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.483 HG23 ' HD1' ' A' ' 40' ' ' TYR . 72.8 t -94.34 -44.79 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.238 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.04 -62.39 1.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.981 HD23 ' O ' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -53.84 -42.16 68.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.409 ' N ' ' HG ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -50.89 -68.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.35 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.555 ' OE1' HD11 ' A' ' 54' ' ' ILE . 18.4 mt-30 -53.05 -49.79 65.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.67 -52.51 2.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.75 -46.81 67.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.289 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -73.11 -23.14 60.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 45' ' ' GLN . . . 154.61 -72.05 0.27 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.519 1.137 . . . . 0.0 111.057 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.1 155.25 8.13 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 52' ' ' GLN . 0.3 OUTLIER -105.98 179.54 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.543 0.79 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.47 ' N ' HG13 ' A' ' 51' ' ' VAL . 46.7 mm-40 -71.34 59.19 0.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 54.16 103.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.585 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.555 HD11 ' OE1' ' A' ' 45' ' ' GLN . 93.5 mt -60.35 128.83 22.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.07 72.25 1.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.992 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.494 ' HB3' ' CD1' ' A' ' 60' ' ' TRP . 65.4 m95 -74.78 -40.72 61.0 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.021 -1.104 . . . . 0.0 108.021 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.25 -58.75 1.72 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.951 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -56.34 -57.13 13.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 71.2 t -45.78 -57.18 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.559 ' CZ3' ' HG2' ' A' ' 34' ' ' LYS . 47.7 m95 -59.46 -34.46 72.57 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.21 38.5 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.6 m -155.07 -50.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 110.414 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.479 ' CZ ' ' SD ' ' A' ' 15' ' ' MET . 92.8 m-85 -114.66 148.71 37.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -120.89 168.66 11.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.558 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.555 HD11 ' HG2' ' A' ' 34' ' ' LYS . 13.7 mt -93.1 128.73 39.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.631 HG22 ' O ' ' A' ' 91' ' ' SER . 1.1 t -106.43 170.04 8.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.354 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.688 ' HB3' HD11 ' A' ' 72' ' ' LEU . 4.8 t 170.39 143.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 110.03 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 46.8 32.94 1.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 58.18 34.79 74.81 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -135.75 118.88 16.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.752 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.566 ' HE2' HD13 ' A' ' 93' ' ' ILE . 9.4 mmtt -58.02 128.43 37.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.688 HD11 ' HB3' ' A' ' 67' ' ' SER . 13.0 mt -97.99 81.3 2.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.3 p -95.99 -47.71 6.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.436 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.491 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.6 OUTLIER -52.4 135.25 33.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.346 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.42 ' HB3' ' HB2' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -98.8 -42.97 6.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.35 -19.84 65.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.255 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.453 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 1.0 OUTLIER -76.91 127.22 32.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.13 147.84 40.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 32.8 mt -58.54 -34.57 71.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 22.4 ttt-85 -62.64 -37.42 86.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.309 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.16 -12.71 61.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.632 ' CE1' HD23 ' A' ' 72' ' ' LEU . 1.2 m-85 -97.05 9.36 42.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 81.55 11.78 82.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.712 HG23 ' OD2' ' A' ' 88' ' ' ASP . 34.3 mt -88.42 152.97 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 109.329 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.449 ' NH1' ' CG ' ' A' ' 88' ' ' ASP . 0.0 OUTLIER -148.05 -175.47 4.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -63.71 132.0 49.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 68.46 73.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 0.0 110.313 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.712 ' OD2' HG23 ' A' ' 84' ' ' ILE . 43.5 t0 -123.86 174.49 7.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -121.88 112.44 18.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.511 HG22 ' HB2' ' A' ' 67' ' ' SER . 4.1 t -115.64 158.86 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.631 ' O ' HG22 ' A' ' 66' ' ' THR . 0.3 OUTLIER -148.58 166.94 26.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.444 ' CE1' ' CD2' ' A' ' 65' ' ' LEU . 2.7 m-85 -97.06 140.64 31.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.566 HD13 ' HE2' ' A' ' 71' ' ' LYS . 9.1 tt -127.89 155.63 39.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -99.9 144.0 29.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -53.03 -175.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.0 tt -114.61 106.35 14.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 99' ' ' LYS . . . 147.58 -108.98 0.45 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -45.79 96.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 0.785 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 97' ' ' GLY . 0.8 OUTLIER -119.97 105.44 11.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 35.2 t -174.93 111.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.021 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -109.97 120.75 5.78 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.486 1.116 . . . . 0.0 111.04 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 78.03 2.98 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.462 1.77 . . . . 0.0 111.038 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 35.1 t 61.82 152.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.967 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.18 -57.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 110.0 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.539 1.149 . . . . 0.0 111.021 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.2 p -148.88 93.39 2.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 0.761 . . . . 0.0 110.002 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.6 90.27 3.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.995 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.28 -175.06 0.17 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.125 . . . . 0.0 111.015 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.17 152.02 21.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 0.779 . . . . 0.0 109.974 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 55.62 166.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.983 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.62 -174.64 47.16 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.5 ' CG ' HG23 ' A' ' 24' ' ' VAL . 2.1 ptm -158.74 154.34 26.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 0.773 . . . . 0.0 110.97 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.4 m -100.77 107.36 18.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.411 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.699 HG11 HD21 ' A' ' 33' ' ' LEU . 82.2 t -105.96 127.08 61.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.682 ' HB3' HG13 ' A' ' 19' ' ' VAL . 11.3 mtt-85 -90.34 149.29 22.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.515 HG21 ' CD1' ' A' ' 37' ' ' ILE . 90.2 t -130.71 126.56 60.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 15.9 t -90.5 85.77 6.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 108.268 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 16' ' ' ASP . 19.6 mtmt -50.7 168.68 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.356 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.78 64.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 14' ' ' LYS . 26.2 t0 -176.28 -53.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 151.09 -25.68 1.0 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.502 1.126 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -50.35 145.11 6.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 0.747 . . . . 0.0 110.312 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.682 HG13 ' HB3' ' A' ' 11' ' ' ARG . 98.0 t -114.3 130.28 68.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 7.3 mtp -117.61 122.38 30.88 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 108.33 2.69 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.495 1.787 . . . . 0.0 111.023 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.924 HG21 HG12 ' A' ' 37' ' ' ILE . 90.0 t -102.86 151.82 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.5 t -115.51 136.88 50.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.5 HG23 ' CG ' ' A' ' 8' ' ' MET . 19.7 m -149.32 163.1 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.537 HG23 ' C ' ' A' ' 27' ' ' ASN . 23.7 m -62.72 149.79 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -49.44 -22.56 1.21 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.142 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.537 ' C ' HG23 ' A' ' 25' ' ' VAL . 8.1 m120 -132.31 60.54 1.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.502 ' HB2' HG22 ' A' ' 25' ' ' VAL . . . -84.67 178.35 7.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.9 p -129.23 -175.92 3.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.435 ' CG2' ' O ' ' A' ' 74' ' ' GLU . 69.1 t -57.44 -56.82 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.36 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.4 tp -50.66 -55.52 16.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -42.61 -58.97 2.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.747 ' CD1' HD11 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -40.24 -50.23 2.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.549 ' HG2' ' CZ3' ' A' ' 60' ' ' TRP . 1.5 mttp -59.82 -56.83 16.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -44.98 -48.5 11.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 39' ' ' ARG . . . -59.02 -67.13 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.248 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.924 HG12 HG21 ' A' ' 22' ' ' VAL . 78.5 mt -40.52 -30.16 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.422 ' N ' ' C ' ' A' ' 36' ' ' ALA . 3.0 mt-30 -74.64 -49.97 19.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.28 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.777 ' O ' HD23 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -64.84 -10.55 29.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 0.0 110.312 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.415 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 5.4 t80 -85.98 -39.64 16.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.444 ' O ' ' NE2' ' A' ' 45' ' ' GLN . 55.8 t -91.11 -37.67 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.5 tm0? -63.63 -69.47 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.778 HD12 ' C ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -41.7 -38.89 1.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.462 ' N ' HD12 ' A' ' 43' ' ' LEU . 0.8 OUTLIER -53.21 -72.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.449 ' N ' ' CD ' ' A' ' 45' ' ' GLN . 1.3 mp0 -47.19 -37.96 11.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.266 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.65 -47.5 70.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -74.74 -12.6 60.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 110.33 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -102.31 -2.33 29.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.44 -61.49 0.36 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.517 1.136 . . . . 0.0 111.027 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 156.9 149.63 5.45 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.566 HG22 ' H ' ' A' ' 52' ' ' GLN . 0.8 OUTLIER -100.98 -175.98 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 0.75 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.566 ' H ' HG22 ' A' ' 51' ' ' VAL . 2.8 mt-30 -53.19 -68.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 22.4 p-80 -176.25 129.82 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.625 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 50.6 mt -111.48 125.59 68.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.353 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.22 63.7 1.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.995 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.456 ' CZ3' HG11 ' A' ' 59' ' ' VAL . 15.2 m95 -54.63 -45.08 73.69 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.2 m -40.29 -61.16 0.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.951 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -60.96 -50.9 71.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.456 HG11 ' CZ3' ' A' ' 56' ' ' TRP . 45.7 t -43.61 -62.03 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.549 ' CZ3' ' HG2' ' A' ' 34' ' ' LYS . 52.8 m95 -62.88 -36.38 83.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.045 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.74 45.98 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.52 HG22 ' CD2' ' A' ' 63' ' ' TYR . 3.5 m -162.64 -51.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.41 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.55 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 98.2 m-85 -114.88 145.18 42.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -114.41 179.21 4.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.576 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.565 HD13 HD12 ' A' ' 33' ' ' LEU . 67.5 mt -103.64 131.71 50.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.422 HG22 ' O ' ' A' ' 91' ' ' SER . 0.0 OUTLIER -112.59 163.47 14.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 110.36 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.561 ' HB2' HG22 ' A' ' 90' ' ' VAL . 6.6 t 177.19 145.39 0.1 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.132 . . . . 0.0 109.981 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 48.76 28.36 1.85 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 65.59 31.37 79.86 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 67' ' ' SER . 0.9 OUTLIER -128.44 141.26 51.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 0.754 . . . . 0.0 110.311 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -80.38 116.41 20.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.542 HD23 ' CE1' ' A' ' 82' ' ' TYR . 12.4 mt -81.85 86.36 6.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.7 p -107.54 -62.93 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.386 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.435 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -43.58 128.77 5.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.46 -42.15 8.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -61.5 -18.25 58.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 42.5 tttt -86.04 133.78 33.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.9 mttp -82.22 150.82 27.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 31.0 mt -57.84 -36.45 72.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.92 -48.71 80.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -63.38 -14.76 53.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.542 ' CE1' HD23 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -90.4 -8.67 50.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 110.986 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 97.17 -1.02 60.52 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.528 1.143 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.484 HD11 HD21 ' A' ' 72' ' ' LEU . 71.7 mt -81.89 160.99 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 0.739 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.427 ' N ' HG22 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -153.92 -174.93 5.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.287 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -72.86 137.5 45.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 76.51 38.76 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.435 ' OD2' HG23 ' A' ' 90' ' ' VAL . 0.8 OUTLIER -101.99 -176.49 3.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -132.13 123.24 26.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.312 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.561 HG22 ' HB2' ' A' ' 67' ' ' SER . 2.6 t -117.79 160.24 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.436 ' N ' ' CG1' ' A' ' 90' ' ' VAL . 0.9 OUTLIER -138.59 166.17 25.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 109.998 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.536 ' CZ ' HD21 ' A' ' 65' ' ' LEU . 1.8 m-85 -106.06 123.22 47.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.1 tt -105.73 168.45 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 0.0 109.322 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.55 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 11.4 tttt -115.38 140.02 49.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -62.57 -179.31 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.54 112.35 20.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 158.69 -114.22 0.6 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -39.07 151.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 0.766 . . . . 0.0 110.276 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -147.67 155.62 41.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 68.3 142.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.992 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -142.39 157.58 26.64 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.472 1.108 . . . . 0.0 110.98 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -45.43 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.454 1.765 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.3 m 71.16 -59.85 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.01 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.15 -60.56 1.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.006 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.457 1.098 . . . . 0.0 110.96 179.95 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.32 164.37 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 0.743 . . . . 0.0 109.977 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.21 144.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 110.007 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.06 175.88 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.9 p -99.59 88.48 3.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.764 . . . . 0.0 110.016 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.1 m -131.46 124.69 30.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 110.011 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.32 -162.4 24.56 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.585 1.178 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.413 ' HA ' ' OD1' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -147.07 159.72 43.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 0.772 . . . . 0.0 110.973 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -111.58 98.1 7.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.377 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.568 HG11 HD21 ' A' ' 33' ' ' LEU . 77.5 t -88.73 115.77 29.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.424 ' HB3' HG11 ' A' ' 19' ' ' VAL . 75.7 mtt180 -84.47 128.51 34.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.44 HG21 ' CD1' ' A' ' 37' ' ' ILE . 2.9 t -97.77 125.18 51.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.239 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 14' ' ' LYS . 4.2 t -84.19 81.85 8.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 108.353 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -39.85 -80.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.418 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -170.6 48.51 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.977 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.418 ' CB ' ' O ' ' A' ' 15' ' ' MET . 0.7 OUTLIER 76.26 15.42 2.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -105.67 -106.16 3.09 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.482 1.114 . . . . 0.0 110.947 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -115.0 127.23 55.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.764 . . . . 0.0 110.279 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.424 HG11 ' HB3' ' A' ' 11' ' ' ARG . 37.6 t -84.61 146.68 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 10.3 mtp -113.87 121.96 35.84 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 106.63 2.31 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.472 1.775 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.867 HG21 HG12 ' A' ' 37' ' ' ILE . 90.2 t -99.78 149.99 5.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.534 ' O ' HG13 ' A' ' 24' ' ' VAL . 13.6 p -119.36 146.78 23.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.534 HG13 ' O ' ' A' ' 23' ' ' VAL . 10.1 m -155.37 168.35 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.23 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.1 m -68.49 144.4 14.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.377 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -43.84 -26.36 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -128.33 64.66 1.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.41 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -91.38 177.19 6.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 43.5 p -130.88 -177.6 4.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.392 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.9 t -57.69 -44.05 84.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 31' ' ' LEU . 7.5 tp -56.95 -57.43 12.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.472 ' OD1' HG12 ' A' ' 24' ' ' VAL . 5.8 t70 -46.17 -57.7 4.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.568 HD21 HG11 ' A' ' 10' ' ' VAL . 0.4 OUTLIER -39.72 -66.33 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.559 ' HG2' ' CE3' ' A' ' 60' ' ' TRP . 0.4 OUTLIER -43.14 -59.2 2.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.36 -48.91 46.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.589 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -50.16 -70.35 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.867 HG12 HG21 ' A' ' 22' ' ' VAL . 72.6 mt -41.69 -31.39 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.658 ' NE2' ' CG ' ' A' ' 56' ' ' TRP . 7.4 mt-30 -76.53 -46.86 24.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.757 ' O ' HD23 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -66.8 -8.58 29.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.419 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 5.7 t80 -87.46 -37.18 17.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.955 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 50.4 t -93.65 -36.29 7.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -65.14 -69.58 0.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.778 HD12 ' C ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -43.39 -42.5 4.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.48 ' N ' HD12 ' A' ' 43' ' ' LEU . 13.5 ttpp -53.4 -62.91 1.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 49' ' ' GLY . 76.9 mt-30 -51.88 -53.2 43.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.29 -58.0 3.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -50.18 -53.79 25.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -65.37 -17.47 64.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.26 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 45' ' ' GLN . . . 67.83 59.13 6.79 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.512 1.132 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -139.38 73.91 0.4 Allowed Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 17.0 m -61.78 126.96 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -127.25 166.99 16.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 110.28 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -90.35 102.4 15.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.632 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.6 mm -131.08 113.07 23.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.644 ' O ' HG23 ' A' ' 59' ' ' VAL . 0.1 OUTLIER -89.74 77.01 7.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 110.012 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.658 ' CG ' ' NE2' ' A' ' 38' ' ' GLN . 71.0 m95 -59.55 -42.98 93.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 108.043 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.3 t -42.78 -59.29 2.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.062 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -62.89 -45.14 93.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 55' ' ' SER . 57.6 t -48.14 -61.52 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.57 ' HZ3' HD21 ' A' ' 65' ' ' LEU . 43.5 m95 -59.1 -25.01 63.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 108.001 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.38 30.45 1.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.265 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.7 m -146.63 -45.73 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.417 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.56 ' CE2' ' HB2' ' A' ' 94' ' ' LYS . 39.8 m-85 -110.18 156.26 20.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -120.38 172.89 7.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.605 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.57 HD21 ' HZ3' ' A' ' 60' ' ' TRP . 37.6 mt -115.0 117.68 31.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.84 160.58 21.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.415 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.0 t -138.2 -82.85 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.961 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -98.44 31.29 2.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 97.16 -19.46 54.68 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -78.12 100.61 6.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 0.751 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.932 ' HE3' HD13 ' A' ' 93' ' ' ILE . 7.6 mmtm -61.33 113.06 2.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.535 HD23 ' CE1' ' A' ' 82' ' ' TYR . 13.8 mt -74.71 91.15 2.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 70.7 p -120.59 1.35 10.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.419 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.423 ' CB ' ' HB3' ' A' ' 77' ' ' LYS . 0.4 OUTLIER -100.22 103.33 14.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.253 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -68.31 -30.49 69.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -76.51 -34.27 58.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.507 ' HD3' ' CE2' ' A' ' 82' ' ' TYR . 3.3 tttt -70.89 132.05 44.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -79.15 154.45 29.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 48.8 mt -60.1 -36.67 77.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.2 ttt180 -59.92 -38.26 81.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.253 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.94 -28.31 66.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.535 ' CE1' HD23 ' A' ' 72' ' ' LEU . 18.0 m-85 -89.03 -2.69 58.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 83.88 16.91 66.64 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.463 1.102 . . . . 0.0 111.03 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 82.3 mt -83.51 110.78 18.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 79.4 mmt-85 -104.94 -174.7 2.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.413 ' OD1' ' HA ' ' A' ' 8' ' ' MET . 7.0 t30 -70.36 154.97 41.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.98 31.26 20.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.32 162.66 13.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -121.74 115.12 22.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.284 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.2 t -99.93 149.95 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.3 163.59 14.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.998 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -112.12 164.84 12.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.932 HD13 ' HE3' ' A' ' 71' ' ' LYS . 10.2 tt -157.04 150.66 9.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.56 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 2.0 tmtt? -108.82 139.17 44.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -174.25 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.19 121.61 44.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 127.54 -134.82 8.44 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 11.7 mp0 65.42 142.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.6 tttp -99.65 -73.15 0.64 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 33.9 p -45.81 150.84 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.005 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 167.53 -145.37 9.71 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.539 1.15 . . . . 0.0 110.998 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 153.0 41.42 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 110.987 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.85 108.27 1.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.034 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.65 96.8 2.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.02 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.065 0 O-C-N 124.507 1.13 . . . . 0.0 111.001 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.1 p -139.5 107.88 5.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 110.008 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.0 p -139.19 -58.32 0.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.4 145.54 4.74 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.469 1.106 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.9 p -138.58 118.72 13.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 110.008 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.2 p -55.28 169.66 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.05 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.22 -167.92 20.29 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.409 ' HA ' ' OD1' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -140.63 175.48 9.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 0.784 . . . . 0.0 110.976 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 m -117.03 99.39 7.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.385 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.823 HG11 HD21 ' A' ' 33' ' ' LEU . 61.1 t -92.59 136.96 23.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.8 mtt85 -103.79 159.86 15.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.5 t -125.83 119.37 54.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 15.0 t -104.35 91.51 3.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 108.335 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.8 mtmt -59.72 -97.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.75 -42.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -64.73 -41.49 95.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 134.68 44.21 0.11 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -109.4 138.16 46.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 0.758 . . . . 0.0 110.321 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.1 t -130.05 122.02 53.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.515 ' SD ' ' CE1' ' A' ' 40' ' ' TYR . 11.8 mtm -117.86 122.68 30.35 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 106.88 2.36 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.556 1.819 . . . . 0.0 110.977 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.945 HG21 HG12 ' A' ' 37' ' ' ILE . 50.3 t -104.12 148.2 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.605 ' O ' HG13 ' A' ' 24' ' ' VAL . 55.4 t -117.58 146.53 21.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 23' ' ' VAL . 19.8 m -158.21 163.43 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.456 HG23 ' C ' ' A' ' 27' ' ' ASN . 33.8 m -63.96 143.95 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -47.03 -24.24 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.456 ' C ' HG23 ' A' ' 25' ' ' VAL . 2.9 m120 -122.1 53.82 1.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.435 ' N ' HG23 ' A' ' 25' ' ' VAL . . . -82.54 175.55 10.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.1 p -129.7 179.15 5.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.439 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.499 HG21 ' O ' ' A' ' 74' ' ' GLU . 60.0 t -57.82 -40.47 76.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.468 ' HG ' ' CD ' ' A' ' 35' ' ' LYS . 6.5 tp -60.03 -55.59 32.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 33' ' ' LEU . 74.5 m-20 -48.33 -58.51 4.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.823 HD21 HG11 ' A' ' 10' ' ' VAL . 0.5 OUTLIER -39.7 -53.55 2.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -56.8 -65.75 0.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.244 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.468 ' CD ' ' HG ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -42.29 -42.54 3.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.713 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -59.47 -70.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.945 HG12 HG21 ' A' ' 22' ' ' VAL . 78.3 mt -45.09 -26.74 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -77.47 -52.33 9.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.445 1.09 . . . . 0.0 110.274 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -10.46 18.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.515 ' CE1' ' SD ' ' A' ' 20' ' ' MET . 5.8 t80 -79.9 -42.32 24.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.0 t -94.53 -48.31 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -45.85 -70.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mt -53.84 -54.07 43.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.405 ' CB ' ' O ' ' A' ' 40' ' ' TYR . 3.7 ttmt -43.8 -62.2 1.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -53.42 -40.72 65.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.29 -45.81 65.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.77 -16.72 61.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -106.13 14.78 27.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.299 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.62 69.29 1.41 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -143.19 163.43 27.43 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.405 HG22 ' H ' ' A' ' 52' ' ' GLN . 0.5 OUTLIER -141.22 176.18 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 0.775 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.405 ' H ' HG22 ' A' ' 51' ' ' VAL . 2.9 mt-30 -74.86 105.52 5.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.299 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -159.74 36.92 0.19 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.632 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.488 ' O ' HG22 ' A' ' 54' ' ' ILE . 7.3 mt -112.88 1.29 8.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 53.89 43.87 30.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.948 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TRP . . . . . 0.452 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 47.7 m95 -44.9 -46.38 10.88 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.6 m -49.4 -54.67 16.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.931 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -66.79 -40.19 88.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.0 t -51.76 -52.21 23.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.452 ' CD1' ' O ' ' A' ' 56' ' ' TRP . 72.3 m95 -65.73 -41.18 92.53 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -61.79 -18.02 58.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.1 m -102.64 -60.7 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.175 . . . . 0.0 110.431 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.556 ' CE1' ' HB2' ' A' ' 94' ' ' LYS . 96.4 m-85 -98.46 154.51 17.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.463 ' ND1' HG22 ' A' ' 73' ' ' THR . 54.2 m-70 -126.28 168.93 13.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.591 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.775 HD13 HD12 ' A' ' 33' ' ' LEU . 87.0 mt -97.12 115.29 27.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.591 ' O ' HG13 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -107.69 160.59 15.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.421 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 35.2 p -134.48 -53.59 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.977 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -164.54 67.18 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.43 -7.72 60.48 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.461 1.101 . . . . 0.0 110.958 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -103.49 106.02 16.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 0.783 . . . . 0.0 110.301 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -71.55 115.56 10.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.337 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.917 HD23 ' CD1' ' A' ' 82' ' ' TYR . 7.8 mt -79.58 79.51 6.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.463 HG22 ' ND1' ' A' ' 64' ' ' HIS . 61.3 p -109.86 -43.81 3.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.409 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.499 ' O ' HG21 ' A' ' 30' ' ' VAL . 0.2 OUTLIER -55.56 119.21 5.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.2 -34.79 21.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -70.31 -28.27 65.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.318 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -77.11 124.65 28.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.113 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -68.78 163.79 23.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 33.1 mt -68.44 -39.77 81.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.66 -28.32 60.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.343 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.22 -22.73 60.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.917 ' CD1' HD23 ' A' ' 72' ' ' LEU . 2.7 m-85 -95.6 18.9 11.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 61.08 27.87 67.98 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 34.1 mm -78.83 150.0 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 0.758 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -142.05 -178.43 5.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.409 ' OD1' ' HA ' ' A' ' 8' ' ' MET . 7.1 t30 -79.83 145.03 32.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 63.84 32.76 13.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -85.01 178.32 7.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -136.44 108.85 7.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.332 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.591 HG13 ' O ' ' A' ' 66' ' ' THR . 39.9 t -97.75 142.7 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.431 ' HB2' HG23 ' A' ' 66' ' ' THR . 0.1 OUTLIER -111.91 161.79 16.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.969 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.598 ' CZ ' HD21 ' A' ' 65' ' ' LEU . 0.3 OUTLIER -106.77 123.48 48.21 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.133 . . . . 0.0 110.999 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.7 tt -108.94 166.91 4.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.556 ' HB2' ' CE1' ' A' ' 63' ' ' TYR . 2.8 ttmt -115.9 139.99 49.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -65.85 -178.63 0.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.6 tp -87.56 92.51 9.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 99' ' ' LYS . . . -168.5 -56.92 0.03 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 63.31 -78.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 0.793 . . . . 0.0 110.331 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 97' ' ' GLY . 3.6 tttp 79.8 172.64 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.93 143.47 31.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.007 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 172.94 157.26 14.25 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 118.34 5.22 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.504 1.792 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 35.4 m -148.47 149.34 31.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.01 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 26.4 m 58.7 100.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.996 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.2 ptm -154.67 157.31 37.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 0.763 . . . . 0.0 110.972 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 m -105.93 100.43 9.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.366 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.6 HG11 HD21 ' A' ' 33' ' ' LEU . 87.0 t -94.39 118.21 39.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -82.49 137.2 34.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.411 HG11 ' HE2' ' A' ' 92' ' ' PHE . 70.5 t -120.5 86.51 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.4 t -68.55 81.03 0.27 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 108.308 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 -179.997 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.1 mtp -121.34 124.01 27.45 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.967 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 108.83 2.81 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.507 1.793 . . . . 0.0 111.051 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.754 HG21 HG12 ' A' ' 37' ' ' ILE . 71.8 t -102.49 151.03 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.6 ' O ' HG13 ' A' ' 24' ' ' VAL . 14.7 p -114.88 144.98 21.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.6 HG13 ' O ' ' A' ' 23' ' ' VAL . 15.7 m -157.71 170.66 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.444 HG23 ' C ' ' A' ' 27' ' ' ASN . 32.3 m -70.69 155.93 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -20.4 21.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 110.273 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.444 ' C ' HG23 ' A' ' 25' ' ' VAL . 2.0 m120 -127.44 58.27 1.47 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.04 176.72 6.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.457 HG22 ' HA ' ' A' ' 78' ' ' LYS . 72.2 p -130.85 -177.82 4.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 110.41 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.534 ' N ' HD21 ' A' ' 79' ' ' LEU . 83.7 t -61.13 -40.41 85.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.746 HD22 ' HE3' ' A' ' 35' ' ' LYS . 1.4 mt -58.51 -64.47 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -40.64 -56.4 2.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.258 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.63 HD12 HD13 ' A' ' 65' ' ' LEU . 0.2 OUTLIER -39.87 -51.89 2.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.569 ' HG2' ' CE3' ' A' ' 60' ' ' TRP . 0.7 OUTLIER -58.15 -53.77 54.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.746 ' HE3' HD22 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -52.85 -47.48 67.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.52 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -56.94 -61.67 2.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.754 HG12 HG21 ' A' ' 22' ' ' VAL . 71.5 mt -41.68 -35.89 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.416 ' NE2' ' HE1' ' A' ' 60' ' ' TRP . 6.0 mt-30 -78.7 -42.34 28.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.747 ' O ' HD23 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -70.29 -6.37 34.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.338 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.44 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 4.0 t80 -87.49 -37.48 16.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.1 t -93.66 -34.64 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -67.36 -66.36 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.25 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.747 HD23 ' O ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -49.82 -43.17 48.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.097 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -55.08 -58.55 7.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -52.71 -50.16 63.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.274 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.45 ' O ' HG23 ' A' ' 59' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.5 ' HB3' ' CD1' ' A' ' 60' ' ' TRP . 90.2 m95 -61.96 -27.71 69.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 108.034 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.8 m -52.67 -60.43 3.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.022 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -66.08 -47.31 74.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 55' ' ' SER . 55.7 t -46.98 -59.05 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.569 ' CE3' ' HG2' ' A' ' 34' ' ' LYS . 50.7 m95 -62.32 -37.49 85.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 107.985 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.65 39.99 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 33.0 m -155.35 -45.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.535 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 98.7 m-85 -118.86 159.86 22.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -124.31 -178.99 4.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.632 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.63 HD13 HD12 ' A' ' 33' ' ' LEU . 58.0 mt -108.01 123.08 48.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.584 HG21 ' HB ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -119.99 160.9 21.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.407 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.519 ' HB2' HG22 ' A' ' 90' ' ' VAL . 3.9 t -133.17 -62.52 0.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.98 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -161.26 69.86 0.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.11 -29.91 5.78 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -79.19 107.64 12.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.438 ' HE2' HD13 ' A' ' 93' ' ' ILE . 14.0 mttt -78.76 113.81 17.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.64 HD21 HD11 ' A' ' 84' ' ' ILE . 10.2 mt -80.45 83.96 6.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.36 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 72.6 p -109.57 -54.75 2.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.422 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.51 127.5 29.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.452 ' HB3' HD12 ' A' ' 31' ' ' LEU . 8.5 m-20 -94.91 -28.02 15.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.81 -2.59 37.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.332 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -105.87 121.66 44.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.457 ' HA ' HG22 ' A' ' 29' ' ' THR . 3.4 mttp -63.56 148.12 49.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.534 HD21 ' N ' ' A' ' 30' ' ' VAL . 34.7 mt -62.58 -39.64 94.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.159 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.52 -21.75 11.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.81 -28.8 27.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -77.6 -12.95 60.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 101.35 9.64 43.84 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.64 HD11 HD21 ' A' ' 72' ' ' LEU . 48.8 mt -92.79 125.33 45.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -122.89 -175.15 3.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.412 ' OD1' ' C ' ' A' ' 86' ' ' ASN . 4.6 t-20 -63.06 140.95 58.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 20.4 mtt180 63.74 57.56 1.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.406 ' OD2' HG23 ' A' ' 84' ' ' ILE . 19.1 t70 -115.37 169.44 9.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -117.55 109.67 16.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.302 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.519 HG22 ' HB2' ' A' ' 67' ' ' SER . 6.5 t -118.05 148.45 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.22 168.15 19.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 110.008 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.465 ' CZ ' HD21 ' A' ' 65' ' ' LEU . 4.8 m-85 -91.17 163.1 14.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.584 ' HB ' HG21 ' A' ' 66' ' ' THR . 15.6 tt -142.51 158.61 19.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.535 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 1.0 OUTLIER -110.1 129.59 55.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.976 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.546 ' CG ' HG23 ' A' ' 24' ' ' VAL . 1.2 ptm -151.75 155.34 38.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.761 . . . . 0.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.8 m -102.54 102.19 12.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 110.421 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.766 HG11 HD21 ' A' ' 33' ' ' LEU . 87.2 t -98.19 120.94 48.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.9 mtt-85 -89.03 145.55 25.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.55 HG21 ' CD1' ' A' ' 37' ' ' ILE . 47.3 t -114.66 138.52 44.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.9 t -104.31 85.42 2.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 108.3 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.4 mtmt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.7 t . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.8 mtp -139.28 122.52 10.7 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.987 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 108.69 2.77 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.506 1.793 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.917 HG21 HG12 ' A' ' 37' ' ' ILE . 96.0 t -102.68 150.53 6.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.664 ' O ' HG13 ' A' ' 24' ' ' VAL . 12.3 p -115.39 148.87 17.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.664 HG13 ' O ' ' A' ' 23' ' ' VAL . 4.7 m -159.04 170.68 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.478 HG23 ' N ' ' A' ' 28' ' ' ALA . 24.0 m -76.17 143.54 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -40.91 -40.94 1.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.334 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -109.39 49.88 0.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.478 ' N ' HG23 ' A' ' 25' ' ' VAL . . . -74.29 176.27 6.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.539 ' C ' HD21 ' A' ' 79' ' ' LEU . 30.8 p -131.04 -175.61 3.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.394 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 74' ' ' GLU . 91.6 t -61.56 -49.58 83.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.349 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.68 HD22 ' HE2' ' A' ' 35' ' ' LYS . 0.7 OUTLIER -52.76 -55.49 22.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.27 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.436 ' OD2' HG12 ' A' ' 24' ' ' VAL . 5.5 t70 -43.83 -53.66 5.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.766 HD21 HG11 ' A' ' 10' ' ' VAL . 0.4 OUTLIER -39.03 -71.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.835 ' HG3' HD21 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -45.81 -58.09 3.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.68 ' HE2' HD22 ' A' ' 31' ' ' LEU . 60.4 mttm -44.1 -50.38 8.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.486 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -56.64 -67.25 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.917 HG12 HG21 ' A' ' 22' ' ' VAL . 96.1 mt -39.87 -32.03 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.421 ' OE1' ' NE1' ' A' ' 60' ' ' TRP . 3.9 mt-30 -76.21 -49.37 17.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.704 ' O ' HD23 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -66.16 -9.04 27.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.333 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -85.54 -36.53 20.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.4 t -93.75 -35.17 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -67.33 -67.3 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.722 ' C ' HD12 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -48.55 -44.95 36.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.0 tttt -54.24 -66.88 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -48.31 -53.57 16.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 70.0 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -66.76 -47.53 71.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 108.014 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 61' ' ' ARG . 3.0 m -39.46 -60.89 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.007 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -54.54 -49.22 70.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 111.04 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.4 t -50.59 -51.99 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.538 ' CE3' ' HG2' ' A' ' 34' ' ' LYS . 45.4 m95 -69.74 -27.39 64.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 108.037 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 57' ' ' SER . 0.1 OUTLIER -90.69 36.18 0.9 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.578 1.174 . . . . 0.0 110.295 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.5 HG22 ' CD2' ' A' ' 63' ' ' TYR . 1.9 m -157.94 -44.81 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.501 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 97.9 m-85 -118.81 161.23 20.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.404 ' C ' HD13 ' A' ' 65' ' ' LEU . 93.2 m-70 -141.69 167.03 23.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.612 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.835 HD21 ' HG3' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -89.05 122.66 32.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.421 ' OG1' ' N ' ' A' ' 67' ' ' SER . 2.7 t -105.76 175.39 5.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.355 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.421 ' N ' ' OG1' ' A' ' 66' ' ' THR . 4.8 t 166.04 150.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 109.977 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 43.5 45.42 5.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 46.99 41.91 14.8 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -136.42 136.25 39.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 0.746 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -85.77 119.05 25.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.45 HD12 ' O ' ' A' ' 65' ' ' LEU . 6.0 mt -89.78 88.33 7.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 70.4 p -111.12 -36.02 5.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.409 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.494 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -65.04 122.87 18.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.92 -35.03 26.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -69.4 -34.17 74.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.343 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.446 ' HG2' ' CE2' ' A' ' 82' ' ' TYR . 17.4 tttt -69.48 129.07 38.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -76.17 155.57 34.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.539 HD21 ' C ' ' A' ' 29' ' ' THR . 21.3 mt -67.66 -45.24 75.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -57.29 -17.43 11.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.27 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.48 -10.41 54.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.446 ' CE2' ' HG2' ' A' ' 77' ' ' LYS . 1.9 m-85 -102.87 -1.93 28.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.937 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.93 17.79 50.0 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.531 1.144 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 21.7 mt -98.05 107.36 20.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 0.739 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -99.96 -174.75 2.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.355 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -74.22 148.97 41.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.3 mtm-85 65.74 31.22 9.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.314 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -100.1 158.86 15.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -106.01 122.71 46.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.27 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.6 t -111.66 157.49 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.17 166.9 18.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.012 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.521 ' CE1' ' CD1' ' A' ' 65' ' ' LEU . 0.7 OUTLIER -106.3 127.03 52.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' A' ' 63' ' ' TYR . 1.3 tt -111.9 167.61 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.501 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 10.2 tttt -118.83 133.47 55.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.54 169.98 19.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 110.956 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -118.87 95.91 5.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.415 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.625 HG11 HD21 ' A' ' 33' ' ' LEU . 88.1 t -88.23 112.53 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.0 mtt-85 -81.48 133.46 35.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 110.3 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.81 HG21 HD11 ' A' ' 37' ' ' ILE . 5.0 t -116.59 91.83 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 14' ' ' LYS . 28.6 t -74.23 84.76 1.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 108.286 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 13' ' ' CYS . 52.3 mtmt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 2.4 p . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.6 mtm -116.91 122.93 30.79 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.406 ' O ' ' CE2' ' A' ' 40' ' ' TYR . 18.2 Cg_endo -74.95 108.48 2.73 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.562 1.822 . . . . 0.0 111.043 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.93 HG21 HG12 ' A' ' 37' ' ' ILE . 47.2 t -102.4 146.18 10.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 68.8 t -114.09 145.39 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.43 ' HB ' ' CB ' ' A' ' 28' ' ' ALA . 4.2 m -150.54 175.35 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.438 HG22 ' HB2' ' A' ' 28' ' ' ALA . 25.1 m -72.09 145.63 12.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.6 -25.89 0.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.434 ' C ' HG23 ' A' ' 25' ' ' VAL . 7.6 m120 -128.35 65.54 1.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.438 ' HB2' HG22 ' A' ' 25' ' ' VAL . . . -94.57 177.96 5.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.229 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.451 ' C ' HD21 ' A' ' 79' ' ' LEU . 15.2 p -129.59 -175.53 3.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.433 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.501 HG21 ' O ' ' A' ' 74' ' ' GLU . 91.2 t -58.17 -63.06 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 tp -42.98 -58.29 2.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 33' ' ' LEU . 19.2 t0 -42.08 -57.59 2.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.908 HD12 HD13 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -40.13 -59.03 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.556 ' HG2' ' CE3' ' A' ' 60' ' ' TRP . 0.8 OUTLIER -51.94 -57.74 8.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.113 . . . . 0.0 109.27 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -42.67 -48.27 5.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.512 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -58.04 -65.97 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.93 HG12 HG21 ' A' ' 22' ' ' VAL . 77.5 mt -39.43 -35.77 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.41 ' OE1' ' NE1' ' A' ' 60' ' ' TRP . 3.8 mt-30 -76.15 -49.9 16.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.714 ' O ' HD23 ' A' ' 43' ' ' LEU . 2.5 mtt180 -69.2 -6.86 31.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.112 . . . . 0.0 110.274 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.445 ' N ' ' O ' ' A' ' 36' ' ' ALA . 62.2 t80 -83.51 -45.15 13.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 89.8 t -87.04 -43.57 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -67.61 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.732 ' C ' HD12 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -48.7 -42.73 35.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 109.267 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -49.68 -71.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -48.05 -52.78 18.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 67.6 m95 -52.99 -50.57 63.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 108.02 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 61' ' ' ARG . 10.4 t -39.66 -57.84 1.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.03 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -61.05 -48.55 81.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.8 t -51.88 -39.91 26.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.556 ' CE3' ' HG2' ' A' ' 34' ' ' LYS . 68.3 m95 -81.31 -30.09 34.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 108.022 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 57' ' ' SER . 0.0 OUTLIER -90.3 36.82 0.88 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.1 m -161.47 -44.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.362 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.506 ' CE2' ' HG3' ' A' ' 94' ' ' LYS . 84.6 m-85 -110.41 140.96 44.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -116.2 163.43 15.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.612 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.908 HD13 HD12 ' A' ' 33' ' ' LEU . 35.1 mt -94.08 121.92 36.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.524 HG21 ' HB ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -108.91 160.42 16.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.392 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.1 t -135.9 -87.91 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.33 -85.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.082 . . . . 0.0 109.328 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -134.65 24.58 3.49 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -126.78 152.19 47.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 0.778 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.485 ' HE3' HD13 ' A' ' 93' ' ' ILE . 5.0 mttp -101.82 112.75 25.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.673 HD21 HD11 ' A' ' 84' ' ' ILE . 14.8 mt -68.33 86.89 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.7 p -111.06 -64.47 1.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.409 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.501 ' O ' HG21 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -44.46 137.28 3.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.264 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.01 -47.64 5.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -56.86 -20.48 23.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.2 tttt -84.58 132.45 34.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.67 154.12 30.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.451 HD21 ' C ' ' A' ' 29' ' ' THR . 34.7 mt -62.27 -37.32 85.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.492 ' CZ ' ' OD1' ' A' ' 81' ' ' ASP . 0.4 OUTLIER -60.57 -31.26 70.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 110.323 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.492 ' OD1' ' CZ ' ' A' ' 80' ' ' ARG . 2.7 m-20 -74.61 -17.19 60.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.521 ' CD1' HD23 ' A' ' 72' ' ' LEU . 1.2 m-85 -91.49 -3.15 56.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 93.3 6.13 63.13 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.512 1.133 . . . . 0.0 110.996 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.673 HD11 HD21 ' A' ' 72' ' ' LEU . 68.1 mt -85.91 154.54 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.745 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.474 ' N ' ' CD ' ' A' ' 85' ' ' ARG . 0.0 OUTLIER -148.15 -174.3 4.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -66.87 144.48 56.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 57.55 61.01 2.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -115.27 172.6 6.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -118.91 109.2 15.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.334 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.433 HG13 ' O ' ' A' ' 66' ' ' THR . 6.6 t -111.88 148.22 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.95 165.14 22.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.0 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.488 ' CZ ' HD21 ' A' ' 65' ' ' LEU . 0.5 OUTLIER -96.67 149.66 21.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 111.0 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.524 ' HB ' HG21 ' A' ' 66' ' ' THR . 16.1 tt -142.41 161.98 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.506 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 0.5 OUTLIER -118.39 149.75 40.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 30.5 mtpt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.0 -179.47 6.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 0.794 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -124.46 98.14 5.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.405 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.762 HG11 HD21 ' A' ' 33' ' ' LEU . 93.7 t -92.65 106.52 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.425 ' HB3' HG21 ' A' ' 19' ' ' VAL . 8.3 mtt180 -78.17 119.8 22.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.713 HG21 HD11 ' A' ' 37' ' ' ILE . 17.6 t -99.33 95.73 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 51.3 t -77.48 83.52 3.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 108.315 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.251 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.425 HG21 ' HB3' ' A' ' 11' ' ' ARG . 1.9 p . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.487 ' HB3' ' HE3' ' A' ' 20' ' ' MET . 6.5 mtp -124.25 123.75 25.92 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 111.06 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 108.48 2.72 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.782 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.763 HG21 HG12 ' A' ' 37' ' ' ILE . 63.3 t -104.35 150.2 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.153 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.471 ' O ' HG13 ' A' ' 24' ' ' VAL . 41.9 t -114.07 145.64 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 23' ' ' VAL . 15.3 m -153.94 168.68 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.46 HG23 ' N ' ' A' ' 28' ' ' ALA . 13.5 m -61.53 159.34 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -57.19 -16.96 9.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 110.333 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -141.51 65.47 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.465 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -87.36 179.42 6.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.3 p -131.05 -177.46 4.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.412 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.421 ' CG2' ' O ' ' A' ' 74' ' ' GLU . 70.3 t -58.32 -44.9 89.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 31' ' ' LEU . 7.6 tp -57.41 -59.62 4.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -44.65 -57.02 3.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.762 HD21 HG11 ' A' ' 10' ' ' VAL . 0.4 OUTLIER -40.6 -59.2 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 109.268 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.661 ' HG3' HD11 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -49.82 -60.2 3.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.24 -51.14 14.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.612 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -50.44 -65.63 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.763 HG12 HG21 ' A' ' 22' ' ' VAL . 74.4 mt -40.19 -33.08 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.404 ' N ' ' C ' ' A' ' 36' ' ' ALA . 2.5 mt-30 -78.84 -53.11 7.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -8.86 22.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.617 ' HD2' HG23 ' A' ' 41' ' ' VAL . 43.0 t80 -79.9 -42.6 23.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.617 HG23 ' HD2' ' A' ' 40' ' ' TYR . 82.6 t -94.83 -50.62 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -42.9 -70.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.34 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mt -50.14 -34.21 21.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.04 -66.25 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.147 . . . . 0.0 109.34 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -52.97 -43.02 66.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.56 ' HB3' ' CD1' ' A' ' 60' ' ' TRP . 75.2 m95 -53.26 -34.94 59.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 108.02 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.437 ' O ' ' CB ' ' A' ' 61' ' ' ARG . 16.7 m -49.63 -58.53 5.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -61.15 -53.36 57.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 73.5 t -47.69 -58.47 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.56 ' CD1' ' HB3' ' A' ' 56' ' ' TRP . 44.0 m95 -63.17 -38.32 90.69 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.437 ' CB ' ' O ' ' A' ' 57' ' ' SER . 0.3 OUTLIER -88.65 41.55 1.03 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 110.284 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.514 HG22 ' CD1' ' A' ' 63' ' ' TYR . 17.5 m -158.36 -45.21 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 110.404 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.514 ' CD1' HG22 ' A' ' 62' ' ' THR . 83.3 m-85 -121.61 161.47 22.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -130.97 176.57 8.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.613 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.713 HD13 HD12 ' A' ' 33' ' ' LEU . 4.5 mt -104.52 131.61 51.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 67' ' ' SER . 1.6 t -108.3 174.85 5.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.375 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.52 ' HB3' HD11 ' A' ' 72' ' ' LEU . 1.0 OUTLIER -179.23 132.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.047 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 67' ' ' SER . . . 69.52 -64.56 0.34 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.253 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 67' ' ' SER . . . 170.74 39.43 0.03 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.453 1.096 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -146.16 159.98 42.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 0.787 . . . . 0.0 110.299 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -90.27 118.89 30.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.687 HD23 ' CE1' ' A' ' 82' ' ' TYR . 15.0 mt -80.87 79.17 7.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.8 p -105.57 -19.76 13.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 110.366 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.421 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.5 OUTLIER -76.38 115.05 15.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.03 -33.8 33.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -75.58 -18.06 59.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.4 ' CB ' ' HB3' ' A' ' 74' ' ' GLU . 2.4 tttt -85.21 122.39 29.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.23 159.72 30.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 95.3 mt -65.83 -41.61 91.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.53 -23.6 58.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 110.339 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -72.42 -17.4 61.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.687 ' CE1' HD23 ' A' ' 72' ' ' LEU . 14.9 m-85 -102.55 12.36 36.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 111.056 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 77.68 24.27 65.35 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 33.3 mt -95.95 128.16 47.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 0.779 . . . . 0.0 109.253 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -126.09 -175.38 3.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -63.29 135.56 57.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 63.13 69.74 0.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.29 165.38 17.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -112.6 113.63 25.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.4 t -111.84 151.98 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.21 167.26 17.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.025 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.6 ' CZ ' HD21 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -102.88 130.53 49.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.978 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.5 tt -110.31 169.18 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.425 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 11.8 tttt -115.15 149.43 37.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.401 ' N ' ' HG2' ' A' ' 94' ' ' LYS . 5.6 mtpt . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.426 ' CB ' ' HA ' ' A' ' 86' ' ' ASN . 1.5 ptm -149.2 171.9 15.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 0.769 . . . . 0.0 110.977 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -124.48 103.41 8.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.394 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.768 HG11 HD21 ' A' ' 33' ' ' LEU . 88.1 t -98.19 98.49 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -71.83 112.04 7.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 110.278 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.563 HG21 ' CD1' ' A' ' 37' ' ' ILE . 0.3 OUTLIER -90.77 114.1 27.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.0 m -89.61 88.72 7.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 108.319 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.986 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.43 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.461 ' HE1' ' CG2' ' A' ' 41' ' ' VAL . 3.6 mtp -128.84 125.62 23.01 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 109.55 2.95 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.484 1.781 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.86 HG21 HG12 ' A' ' 37' ' ' ILE . 57.6 t -101.91 151.92 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.464 ' O ' HG13 ' A' ' 24' ' ' VAL . 12.6 p -119.22 146.35 24.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.487 ' HB ' ' HB2' ' A' ' 28' ' ' ALA . 11.3 m -153.68 -179.53 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.471 HG23 ' C ' ' A' ' 27' ' ' ASN . 34.8 m -76.33 156.23 5.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -19.09 4.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.471 ' C ' HG23 ' A' ' 25' ' ' VAL . 41.1 p-10 -132.23 61.36 1.66 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.487 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . . . -87.97 170.09 11.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 29.8 p -131.08 170.31 14.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 110.391 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.515 HG21 ' O ' ' A' ' 74' ' ' GLU . 55.0 t -44.94 -42.6 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 31' ' ' LEU . 13.9 tp -58.44 -64.55 0.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 33' ' ' LEU . 5.8 t70 -41.26 -54.55 2.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.768 HD21 HG11 ' A' ' 10' ' ' VAL . 0.4 OUTLIER -40.2 -62.77 0.7 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.84 -56.17 15.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -46.64 -45.75 19.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.537 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -58.6 -69.08 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.86 HG12 HG21 ' A' ' 22' ' ' VAL . 42.4 mt -40.88 -32.14 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -75.6 -56.84 4.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -66.15 -8.15 22.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.43 ' N ' ' O ' ' A' ' 36' ' ' ALA . 35.6 t80 -83.6 -40.53 18.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 111.04 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.461 ' CG2' ' HE1' ' A' ' 20' ' ' MET . 65.8 t -94.72 -44.96 13.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -50.84 -70.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 43' ' ' LEU . 3.9 mt -52.0 -59.92 3.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 43' ' ' LEU . 1.5 ttpt -40.14 -58.48 1.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -57.31 -47.79 80.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.269 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.5 ' O ' HG23 ' A' ' 59' ' ' VAL . 27.9 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.002 -0.369 . . . . 0.0 110.002 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 77.5 m95 -66.97 -39.67 87.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 108.003 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.6 m -44.21 -60.42 1.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.965 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.421 ' O ' ' N ' ' A' ' 61' ' ' ARG . 36.2 t80 -60.91 -51.6 68.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 55' ' ' SER . 48.4 t -45.14 -51.92 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -70.3 -30.22 67.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 107.975 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -91.01 38.83 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.27 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 89.1 m -154.93 -44.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.424 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.448 ' CE1' ' HB2' ' A' ' 94' ' ' LYS . 96.4 m-85 -121.44 149.91 42.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.41 ' O ' HG22 ' A' ' 93' ' ' ILE . 84.5 m-70 -118.79 165.29 14.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.605 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.716 HD13 HD12 ' A' ' 33' ' ' LEU . 54.3 mt -94.04 137.99 32.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.435 ' OG1' ' N ' ' A' ' 67' ' ' SER . 3.6 t -129.59 178.06 6.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.383 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.626 ' HB2' HG22 ' A' ' 90' ' ' VAL . 1.5 t 175.08 137.33 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.949 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 67' ' ' SER . . . 69.5 -64.55 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.341 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 67' ' ' SER . . . 167.81 40.5 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -146.5 140.67 26.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.752 . . . . 0.0 110.287 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -79.04 118.51 21.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.578 HD23 ' CE1' ' A' ' 82' ' ' TYR . 2.1 mt -89.33 84.04 6.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 66.6 p -104.6 -37.95 6.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.379 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.515 ' O ' HG21 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -57.77 130.78 48.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.25 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.54 -39.03 9.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.7 mmt85 -66.17 -17.45 64.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 110.34 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -86.05 141.47 29.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.19 151.79 22.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.475 HD21 ' HA ' ' A' ' 30' ' ' VAL . 26.9 mt -64.53 -39.35 93.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.27 -17.5 53.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.274 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.12 -10.62 43.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.578 ' CE1' HD23 ' A' ' 72' ' ' LEU . 1.0 OUTLIER -101.21 -1.72 33.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 111.043 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 100.64 -9.96 58.96 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.506 1.129 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 49.8 mt -79.68 116.28 23.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 0.769 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 30.6 mmm-85 -118.1 -174.69 2.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.426 ' HA ' ' CB ' ' A' ' 8' ' ' MET . 4.2 t30 -55.09 137.48 46.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 62.28 60.24 1.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.57 -176.53 3.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -135.54 140.51 44.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.626 HG22 ' HB2' ' A' ' 67' ' ' SER . 2.2 t -134.21 152.41 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.01 168.12 13.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.989 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.506 ' CZ ' HD21 ' A' ' 65' ' ' LEU . 5.6 m-85 -104.86 135.46 46.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.41 HG22 ' O ' ' A' ' 64' ' ' HIS . 1.1 tt -119.39 167.4 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.448 ' HB2' ' CE1' ' A' ' 63' ' ' TYR . 12.7 ttmt -114.06 149.9 34.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.401 ' N ' ' HG2' ' A' ' 94' ' ' LYS . 17.1 mttt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.467 ' SD ' ' CG2' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -139.87 173.71 11.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 111.024 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -123.97 105.6 9.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.425 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.71 HG11 HD21 ' A' ' 33' ' ' LEU . 60.1 t -101.53 124.79 55.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.454 ' HB3' HG13 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -96.4 139.11 33.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.488 HG21 ' CD1' ' A' ' 37' ' ' ILE . 3.0 t -101.3 123.28 54.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 t -89.54 83.39 6.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 108.317 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.454 HG13 ' HB3' ' A' ' 11' ' ' ARG . 27.8 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.7 mtp -124.64 122.46 25.74 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.556 ' O ' ' CE2' ' A' ' 40' ' ' TYR . 18.4 Cg_endo -75.01 109.25 2.89 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.45 1.763 . . . . 0.0 111.048 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.937 HG21 HG12 ' A' ' 37' ' ' ILE . 85.5 t -103.35 150.27 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 109.373 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.425 ' O ' HG13 ' A' ' 24' ' ' VAL . 14.7 p -119.71 144.65 27.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.467 ' CG2' ' SD ' ' A' ' 8' ' ' MET . 20.2 m -153.16 163.3 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.513 HG23 ' C ' ' A' ' 27' ' ' ASN . 35.3 m -58.83 153.47 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.76 -20.29 3.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.513 ' C ' HG23 ' A' ' 25' ' ' VAL . 4.0 m-20 -136.31 66.85 1.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.087 . . . . 0.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.51 ' HB2' HG22 ' A' ' 25' ' ' VAL . . . -90.91 178.98 5.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 42.0 p -127.54 -176.1 3.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.388 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.579 ' HA ' HD21 ' A' ' 79' ' ' LEU . 82.9 t -61.18 -38.07 78.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 31' ' ' LEU . 7.5 tp -61.95 -60.83 3.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 33' ' ' LEU . 3.1 t0 -41.15 -55.45 2.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.73 ' CD1' HD11 ' A' ' 37' ' ' ILE . 0.4 OUTLIER -39.9 -70.56 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.531 ' HG3' HD11 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -44.16 -61.27 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -42.54 -58.23 2.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 40' ' ' TYR . . . -46.9 -67.64 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.937 HG12 HG21 ' A' ' 22' ' ' VAL . 71.7 mt -39.52 -33.64 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -78.79 -55.46 5.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.325 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.786 ' O ' HD23 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -62.0 -12.16 17.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 110.348 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.556 ' CE2' ' O ' ' A' ' 21' ' ' PRO . 58.6 t80 -81.5 -42.82 19.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.3 t -91.98 -45.28 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.338 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -50.57 -69.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.786 HD23 ' O ' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -46.96 -39.77 13.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.84 -71.1 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -54.74 -41.32 70.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.331 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 24.5 m95 -58.78 -46.47 87.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 107.991 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.473 ' O ' ' CB ' ' A' ' 61' ' ' ARG . 2.3 m -40.79 -56.5 2.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 110.01 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -58.99 -55.66 32.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 41.6 t -44.57 -62.78 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.472 ' CZ3' ' HG2' ' A' ' 34' ' ' LYS . 69.9 m95 -60.55 -36.5 78.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 107.993 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.473 ' CB ' ' O ' ' A' ' 57' ' ' SER . 0.2 OUTLIER -87.44 43.66 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.9 m -161.63 -43.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.37 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -120.3 141.34 50.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -112.59 174.63 5.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.618 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.649 HD22 ' CE1' ' A' ' 92' ' ' PHE . 17.2 mt -108.89 121.08 44.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.2 t -112.87 178.19 4.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.387 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 70' ' ' GLU . 6.8 t 171.5 147.43 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.961 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 46.83 30.99 1.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 65.51 35.99 91.97 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 67' ' ' SER . 0.7 OUTLIER -137.6 137.75 38.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 110.28 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.5 mttt -76.64 126.8 31.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.534 HD23 ' CE1' ' A' ' 82' ' ' TYR . 8.0 mt -93.89 71.02 4.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.8 p -98.43 -45.35 6.16 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.151 . . . . 0.0 110.448 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.47 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -51.51 125.35 14.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.248 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.51 -37.28 12.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 22.3 mmt-85 -63.47 -26.6 68.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.413 ' CE ' ' HB3' ' A' ' 81' ' ' ASP . 27.1 tttt -76.95 154.33 33.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -98.02 153.03 18.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.579 HD21 ' HA ' ' A' ' 30' ' ' VAL . 43.0 mt -61.31 -37.13 82.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.3 ttt85 -62.83 -47.94 81.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.413 ' HB3' ' CE ' ' A' ' 77' ' ' LYS . 13.6 m-20 -58.09 -17.94 21.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.534 ' CE1' HD23 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -91.7 -6.66 51.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 111.024 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 99.65 3.85 56.07 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 10.6 mt -94.08 104.86 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 0.762 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -104.88 -174.72 2.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 110.334 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.451 ' HA ' ' CB ' ' A' ' 8' ' ' MET . 3.6 p-10 -57.49 136.0 56.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 64.82 63.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -128.15 158.74 37.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -112.48 128.84 56.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.3 t -110.61 152.57 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.255 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.98 166.15 11.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.991 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.649 ' CE1' HD22 ' A' ' 65' ' ' LEU . 1.6 m-85 -114.63 124.17 51.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.5 tt -105.75 163.36 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 38.7 tttt -108.49 162.5 14.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.485 ' CG ' HG23 ' A' ' 24' ' ' VAL . 1.2 ptm -147.89 157.25 43.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.772 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 m -105.15 108.13 19.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.414 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.77 HG11 HD21 ' A' ' 33' ' ' LEU . 94.3 t -106.74 124.06 62.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.47 ' HG2' ' CG1' ' A' ' 19' ' ' VAL . 2.6 mpt_? -87.76 158.81 18.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.562 HG21 ' CD1' ' A' ' 37' ' ' ILE . 74.5 t -133.23 131.18 58.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.6 t -102.31 84.57 2.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 108.302 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.47 ' CG1' ' HG2' ' A' ' 11' ' ' ARG . 61.7 t . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.2 mtp -125.73 122.38 24.63 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.998 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 108.88 2.81 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.456 1.766 . . . . 0.0 111.054 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.905 HG21 HG12 ' A' ' 37' ' ' ILE . 95.7 t -101.63 150.87 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.0 t -117.5 136.3 55.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.485 HG23 ' CG ' ' A' ' 8' ' ' MET . 0.7 OUTLIER -145.61 -177.19 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.626 HG22 ' HB2' ' A' ' 28' ' ' ALA . 18.3 m -82.68 151.56 4.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -51.14 -21.29 1.87 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.097 . . . . 0.0 110.288 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.422 ' C ' HG23 ' A' ' 25' ' ' VAL . 4.0 p30 -135.08 66.31 1.53 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.626 ' HB2' HG22 ' A' ' 25' ' ' VAL . . . -95.81 173.95 7.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.256 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.4 HG22 ' HA ' ' A' ' 78' ' ' LYS . 19.3 p -125.27 -176.58 3.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 110.398 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.1 t -58.39 -45.38 89.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.673 HD22 ' HE3' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -54.07 -61.66 2.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.254 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 33' ' ' LEU . 8.2 m-20 -43.32 -54.79 4.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.77 HD21 HG11 ' A' ' 10' ' ' VAL . 0.3 OUTLIER -39.81 -52.61 2.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.331 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.461 ' HG2' ' CE3' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -57.86 -52.1 66.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.673 ' HE3' HD22 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -52.22 -51.15 59.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.554 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -52.39 -70.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.905 HG12 HG21 ' A' ' 22' ' ' VAL . 87.2 mt -39.81 -34.36 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.423 ' HG2' ' CE2' ' A' ' 56' ' ' TRP . 3.1 mt-30 -73.96 -62.92 1.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.676 ' O ' HD23 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -53.58 -18.89 3.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -76.57 -42.04 44.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.8 t -87.19 -47.26 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -53.89 -69.31 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.775 ' C ' HD12 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -43.27 -37.76 2.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.112 . . . . 0.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.457 ' N ' HD12 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -57.85 -72.2 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -50.8 -41.91 57.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.541 1.15 . . . . 0.0 110.288 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.264 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.423 ' CE2' ' HG2' ' A' ' 38' ' ' GLN . 60.5 m95 -73.93 -38.49 64.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 108.023 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -39.79 -62.02 0.76 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -49.36 -52.86 25.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 77.7 t -47.21 -56.1 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.461 ' CE3' ' HG2' ' A' ' 34' ' ' LYS . 50.9 m95 -65.15 -27.93 69.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 107.98 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.3 39.98 0.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.475 HG22 ' CD1' ' A' ' 63' ' ' TYR . 5.1 m -159.61 -43.69 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.387 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.532 ' CE2' ' HG3' ' A' ' 94' ' ' LYS . 89.3 m-85 -116.29 151.86 35.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.457 ' HB2' ' CG2' ' A' ' 93' ' ' ILE . 80.9 m-70 -118.02 171.87 7.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.599 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.784 HD21 ' CZ ' ' A' ' 92' ' ' PHE . 87.3 mt -110.54 132.05 54.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.96 159.83 22.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.387 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.864 ' HG ' HD21 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -163.94 127.19 2.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 110.001 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 67' ' ' SER . . . 79.74 -52.65 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 172.73 -31.19 0.11 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -74.14 169.51 17.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 0.0 110.33 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -106.92 117.18 33.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.864 HD21 ' HG ' ' A' ' 67' ' ' SER . 14.2 mt -71.8 108.95 5.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 68.1 p -128.05 -45.65 1.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.397 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.15 120.03 11.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.519 ' CB ' HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -86.37 -36.18 19.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -67.44 -18.17 64.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.328 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.48 ' HD3' ' CE2' ' A' ' 82' ' ' TYR . 11.6 tttt -88.73 125.12 34.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.4 ' HA ' HG22 ' A' ' 29' ' ' THR . 0.9 OUTLIER -67.41 160.12 28.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.264 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.9 mt -68.55 -35.08 76.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.097 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -60.9 -42.24 97.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.437 ' HB3' ' CE ' ' A' ' 77' ' ' LYS . 17.2 m-20 -54.78 -29.65 54.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.48 ' CE2' ' HD3' ' A' ' 77' ' ' LYS . 6.2 m-85 -85.83 3.14 42.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 84.16 9.74 81.65 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.529 1.143 . . . . 0.0 111.043 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 50.9 mt -79.96 141.43 15.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.474 0.749 . . . . 0.0 109.339 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.1 mmt85 -133.98 -172.29 2.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -75.81 144.96 41.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 71.39 31.17 2.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -91.28 -179.05 5.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -134.18 116.13 15.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.597 HG22 ' HB3' ' A' ' 67' ' ' SER . 3.3 t -104.45 151.93 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.53 161.59 25.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.959 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.784 ' CZ ' HD21 ' A' ' 65' ' ' LEU . 0.7 OUTLIER -106.14 151.88 24.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.457 ' CG2' ' HB2' ' A' ' 64' ' ' HIS . 1.3 tt -135.77 161.34 38.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.532 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 7.8 tttt -116.33 134.53 54.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 8.7 mttt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.29 166.94 26.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 0.796 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -118.93 97.49 5.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.367 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.696 HG11 HD21 ' A' ' 33' ' ' LEU . 98.9 t -87.17 114.52 26.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.4 mtt85 -83.06 117.37 22.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.331 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 19' ' ' VAL . 73.9 t -96.61 98.92 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.349 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 14' ' ' LYS . 3.2 m -84.9 91.59 8.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 108.257 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 13' ' ' CYS . 54.0 mtmt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.7 mtp -115.98 122.33 32.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 111.036 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 109.25 2.9 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.436 1.756 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.893 HG21 HG12 ' A' ' 37' ' ' ILE . 99.2 t -103.46 150.41 6.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.722 ' O ' HG13 ' A' ' 24' ' ' VAL . 79.4 t -113.78 153.0 15.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.722 HG13 ' O ' ' A' ' 23' ' ' VAL . 5.4 m -160.52 173.94 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.521 HG23 ' C ' ' A' ' 27' ' ' ASN . 21.9 m -73.82 152.77 7.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -21.94 1.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.521 ' C ' HG23 ' A' ' 25' ' ' VAL . 3.0 m-20 -131.24 63.58 1.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.465 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -91.05 178.17 6.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.579 1.175 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 77' ' ' LYS . 82.3 p -128.83 -174.5 3.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.364 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.617 ' HA ' HD21 ' A' ' 79' ' ' LEU . 86.8 t -64.14 -46.4 93.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.936 HD22 ' HE2' ' A' ' 35' ' ' LYS . 1.1 mt -52.56 -64.94 0.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.268 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 33' ' ' LEU . 1.2 m-20 -40.17 -55.29 2.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.965 HD12 HD13 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -39.81 -50.22 2.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.531 ' HG3' HD11 ' A' ' 65' ' ' LEU . 1.1 mptp? -67.09 -48.78 67.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.936 ' HE2' HD22 ' A' ' 31' ' ' LEU . 39.9 mttm -50.98 -53.39 33.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 40' ' ' TYR . . . -53.67 -63.19 1.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.893 HG12 HG21 ' A' ' 22' ' ' VAL . 55.2 mt -39.35 -35.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -76.14 -50.23 15.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -68.28 -6.49 24.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.434 ' O ' ' CB ' ' A' ' 44' ' ' LYS . 8.1 t80 -86.07 -39.05 17.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 111.029 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.4 t -94.94 -42.42 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -54.81 -70.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.442 ' HA ' HD23 ' A' ' 43' ' ' LEU . 3.9 mt -51.79 -52.21 50.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 40' ' ' TYR . 17.4 tttt -46.04 -59.19 3.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -55.49 -53.84 51.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.326 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.0 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 81.9 m95 -70.93 -45.88 63.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 107.988 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.2 m -41.0 -50.69 3.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.976 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -63.97 -50.74 67.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 110.977 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.7 t -50.77 -53.79 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.412 ' CZ3' ' HG2' ' A' ' 34' ' ' LYS . 40.8 m95 -65.38 -34.1 77.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 108.015 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -90.76 37.74 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.1 m -157.29 -47.06 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.389 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.444 ' CE1' ' HB2' ' A' ' 94' ' ' LYS . 72.4 m-85 -112.88 160.92 17.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.428 1.08 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -133.53 171.42 14.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.605 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.965 HD13 HD12 ' A' ' 33' ' ' LEU . 28.2 mt -102.66 138.29 39.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.13 166.54 15.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.412 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.918 ' OG ' HD21 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -167.99 128.55 1.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.022 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 67' ' ' SER . . . 69.17 -64.9 0.31 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 67' ' ' SER . . . 173.32 38.56 0.04 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.506 1.128 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -140.62 145.06 36.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -79.82 119.31 22.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.918 HD21 ' OG ' ' A' ' 67' ' ' SER . 21.7 mt -80.1 86.78 5.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.4 p -107.67 -59.93 1.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.411 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.05 121.1 3.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.659 ' CB ' HD12 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -91.26 -35.89 14.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.113 . . . . 0.0 109.284 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -12.64 56.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.245 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.414 ' O ' ' HB ' ' A' ' 29' ' ' THR . 23.4 tttt -90.34 149.0 22.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.96 146.32 23.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.145 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.617 HD21 ' HA ' ' A' ' 30' ' ' VAL . 38.1 mt -58.37 -42.12 86.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.58 -36.5 74.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.07 -15.41 63.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -95.65 -3.01 46.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 97.3 5.91 57.87 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.551 1.157 . . . . 0.0 111.022 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.678 HD11 ' OG ' ' A' ' 67' ' ' SER . 24.0 mt -92.53 103.89 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -102.62 -174.56 2.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -61.29 139.71 58.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 62.11 60.61 1.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -114.42 172.47 7.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -122.17 109.06 14.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.433 HG22 ' HB3' ' A' ' 67' ' ' SER . 6.1 t -107.28 147.44 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.12 167.11 15.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.02 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.634 ' CZ ' HD21 ' A' ' 65' ' ' LEU . 0.6 OUTLIER -102.25 138.95 38.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 111.03 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.7 tt -118.54 163.02 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.444 ' HB2' ' CE1' ' A' ' 63' ' ' TYR . 4.4 ttmt -114.08 147.15 39.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.403 ' N ' ' HG2' ' A' ' 94' ' ' LYS . 5.5 mtpt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.438 ' CB ' ' HA ' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -146.49 174.1 11.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 110.996 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -118.08 99.68 7.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.384 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.76 HG11 HD21 ' A' ' 33' ' ' LEU . 99.4 t -93.4 107.42 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.2 mtt85 -76.76 139.11 40.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.535 HG21 ' CD1' ' A' ' 37' ' ' ILE . 89.9 t -120.27 83.97 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.0 t -67.64 80.73 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 108.312 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -179.932 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.6 p . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.2 mtp -112.55 122.7 35.69 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 108.78 2.8 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.44 1.758 . . . . 0.0 110.964 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.947 HG21 HG12 ' A' ' 37' ' ' ILE . 94.1 t -104.58 150.05 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 24' ' ' VAL . 24.9 t -115.7 145.38 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.516 ' HB ' ' HB2' ' A' ' 28' ' ' ALA . 3.5 m -151.84 179.61 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.3 m -75.53 150.17 6.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -44.28 -36.94 2.98 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -118.26 60.33 0.79 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.516 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . . . -77.87 178.54 7.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 78.6 p -131.21 -175.51 3.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.386 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 74' ' ' GLU . 88.0 t -64.07 -55.58 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.241 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 tp -54.52 -56.29 20.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.9 OUTLIER -41.2 -58.26 1.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.76 HD21 HG11 ' A' ' 10' ' ' VAL . 0.6 OUTLIER -39.04 -60.26 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.532 ' HG2' ' CZ3' ' A' ' 60' ' ' TRP . 0.3 OUTLIER -49.83 -56.32 10.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -43.29 -44.23 5.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 40' ' ' TYR . . . -64.07 -66.1 0.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.947 HG12 HG21 ' A' ' 22' ' ' VAL . 80.5 mt -39.83 -35.14 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.443 ' HG2' ' CD1' ' A' ' 56' ' ' TRP . 7.2 mt-30 -74.83 -55.73 5.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.748 ' O ' HD23 ' A' ' 43' ' ' LEU . 14.4 mmt85 -64.18 -10.49 23.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' ALA . 39.9 t80 -82.44 -41.3 20.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 39.0 t -93.33 -44.52 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -52.06 -63.54 1.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.34 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.772 ' C ' HD12 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -51.75 -40.73 60.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.454 ' N ' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -51.33 -62.25 1.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 46' ' ' GLU . 56.8 mt-30 -58.17 -49.27 77.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 59.4 m . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.443 ' CD1' ' HG2' ' A' ' 38' ' ' GLN . 77.5 m95 -76.19 -41.42 49.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 108.017 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.0 m -44.79 -53.95 6.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.071 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -55.21 -47.76 74.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 38.5 t -51.18 -55.41 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.347 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.532 ' CZ3' ' HG2' ' A' ' 34' ' ' LYS . 37.5 m95 -63.89 -27.51 69.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 107.993 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -91.4 36.41 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 91.3 m -157.26 -48.7 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.404 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.564 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 96.9 m-85 -119.61 159.52 24.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 -121.87 174.87 6.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.54 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.612 HD21 ' CZ ' ' A' ' 92' ' ' PHE . 59.0 mt -104.38 112.56 25.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.589 HG21 ' HB ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -111.64 162.28 15.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.406 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.599 ' HB2' HG22 ' A' ' 90' ' ' VAL . 41.4 t -137.34 -53.22 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.971 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -171.96 70.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.59 -35.35 3.63 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -76.92 101.45 5.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 110.284 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.9 mttp -76.24 111.16 11.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.903 HD21 HD11 ' A' ' 84' ' ' ILE . 16.4 mt -71.84 88.89 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 74' ' ' GLU . 69.2 p -112.45 -72.77 0.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.424 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.485 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -41.1 136.36 1.57 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 110.338 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.53 -44.15 7.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -61.59 -22.08 64.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.448 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 9.5 tttt -79.5 141.47 36.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.09 145.11 25.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.409 HD21 ' HA ' ' A' ' 30' ' ' VAL . 52.1 mt -57.08 -33.15 67.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 20.3 ttt-85 -62.99 -42.07 99.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -67.93 -15.98 63.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.448 ' CD2' ' HG2' ' A' ' 77' ' ' LYS . 0.7 OUTLIER -88.75 -13.1 40.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 111.016 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 103.3 3.04 47.9 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.903 HD11 HD21 ' A' ' 72' ' ' LEU . 62.5 mt -87.97 152.81 3.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.498 0.763 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.93 -175.23 5.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.438 ' HA ' ' CB ' ' A' ' 8' ' ' MET . 25.4 t30 -43.65 158.26 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 86' ' ' ASN . 24.2 mtt180 37.44 67.77 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.279 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.588 ' OD1' HG22 ' A' ' 10' ' ' VAL . 2.2 p-10 -110.49 140.62 44.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -95.61 110.78 22.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.599 HG22 ' HB2' ' A' ' 67' ' ' SER . 5.5 t -118.86 151.72 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.95 161.35 38.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.612 ' CZ ' HD21 ' A' ' 65' ' ' LEU . 2.5 m-85 -88.95 143.17 27.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.589 ' HB ' HG21 ' A' ' 66' ' ' THR . 13.4 tt -125.33 159.29 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.564 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 1.9 tttt -108.13 130.94 55.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.508 ' CG ' HG23 ' A' ' 24' ' ' VAL . 2.3 ptm -150.83 154.89 38.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.749 . . . . 0.0 111.017 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.8 m -102.75 105.11 15.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 110.394 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.765 HG11 HD21 ' A' ' 33' ' ' LEU . 88.4 t -101.36 119.76 50.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.247 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -88.95 148.0 24.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.0 t -117.65 140.78 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.5 t -110.71 86.02 2.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 108.302 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 53.3 t . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.5 mtp -128.53 122.45 21.76 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 108.52 2.74 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.487 1.782 . . . . 0.0 111.045 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.901 HG21 HG12 ' A' ' 37' ' ' ILE . 70.7 t -101.82 152.65 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.591 ' O ' HG13 ' A' ' 24' ' ' VAL . 14.8 p -118.11 146.1 23.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.591 HG13 ' O ' ' A' ' 23' ' ' VAL . 3.5 m -157.08 172.3 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.453 HG23 ' N ' ' A' ' 28' ' ' ALA . 11.0 m -72.31 153.6 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.84 -21.29 7.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -129.7 56.26 1.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.173 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.462 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -85.23 174.07 9.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.659 ' C ' HD21 ' A' ' 79' ' ' LEU . 11.6 p -130.39 177.76 7.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.428 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.524 ' N ' HD21 ' A' ' 79' ' ' LEU . 93.6 t -51.51 -55.64 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 tp -48.04 -57.09 6.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -44.55 -56.41 4.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.765 HD21 HG11 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -39.98 -54.68 2.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.732 ' HG3' HD11 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -55.48 -54.39 44.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.25 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -47.9 -54.59 12.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.406 ' HB1' HG13 ' A' ' 22' ' ' VAL . . . -53.93 -66.73 0.34 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.901 HG12 HG21 ' A' ' 22' ' ' VAL . 85.8 mt -40.03 -34.52 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -75.54 -50.98 13.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.342 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.791 ' O ' HD23 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -64.02 -10.78 23.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -84.8 -39.02 18.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.1 t -93.85 -40.7 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.2 tm0? -57.92 -69.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.791 HD23 ' O ' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -44.19 -39.8 4.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.245 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.431 ' N ' HD12 ' A' ' 43' ' ' LEU . 1.7 ttpt -57.48 -65.17 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -47.42 -46.8 26.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 110.288 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 13.8 m95 -56.74 -50.75 71.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 107.968 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 61' ' ' ARG . 27.5 m -39.47 -59.31 1.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.027 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -58.33 -44.87 88.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 111.037 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 40.1 t -54.78 -60.27 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.45 ' CZ3' ' HG2' ' A' ' 34' ' ' LYS . 51.9 m95 -62.59 -31.2 71.99 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.453 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 0.2 OUTLIER -89.64 44.89 1.23 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.489 HG22 ' CD2' ' A' ' 63' ' ' TYR . 1.6 m -162.85 -50.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.412 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.561 ' CE1' ' HB2' ' A' ' 94' ' ' LYS . 80.1 m-85 -108.95 163.92 12.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -138.88 165.24 27.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.611 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.732 HD11 ' HG3' ' A' ' 34' ' ' LYS . 11.8 mt -93.25 138.26 31.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -132.37 165.59 23.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 110.401 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.479 ' HB3' HD11 ' A' ' 84' ' ' ILE . 1.2 t -164.83 133.28 3.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.982 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 67' ' ' SER . . . 68.9 -65.35 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 67' ' ' SER . . . 170.91 38.66 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -138.43 125.08 20.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.757 . . . . 0.0 110.282 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -64.93 112.69 3.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.533 HD23 ' CD1' ' A' ' 82' ' ' TYR . 8.3 mt -81.25 79.34 7.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 109.343 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.7 p -97.78 -50.62 4.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.61 135.3 23.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.88 -42.71 6.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -62.25 -14.11 35.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.404 ' O ' ' HB ' ' A' ' 29' ' ' THR . 19.9 tttt -87.96 131.9 34.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -77.64 150.12 34.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.659 HD21 ' C ' ' A' ' 29' ' ' THR . 16.9 mt -60.64 -42.21 96.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.498 1.123 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.61 -29.87 62.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.27 -14.72 59.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.533 ' CD1' HD23 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -96.8 -0.8 47.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.569 1.168 . . . . 0.0 110.993 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.93 -8.45 70.43 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.555 1.159 . . . . 0.0 111.004 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.479 HD11 ' HB3' ' A' ' 67' ' ' SER . 76.4 mt -78.02 126.73 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.767 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 29.9 mmt85 -125.53 -174.06 2.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 110.265 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -63.49 142.63 58.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 61.34 54.56 3.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.41 ' OD2' HG23 ' A' ' 84' ' ' ILE . 41.8 t0 -116.62 172.3 7.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -122.9 117.65 26.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.9 t -104.33 155.26 5.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.45 160.51 26.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.996 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.566 ' CZ ' HD21 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -109.07 124.25 50.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.973 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.1 tt -107.45 167.19 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.561 ' HB2' ' CE1' ' A' ' 63' ' ' TYR . 10.8 tttt -116.55 141.0 48.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.2 mttp . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.984 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.418 ' CB ' ' HA ' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -153.74 169.88 22.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 111.0 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -122.58 100.29 6.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.39 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.408 ' N ' ' O ' ' A' ' 22' ' ' VAL . 91.4 t -91.63 138.85 18.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.482 ' HB3' ' CG2' ' A' ' 19' ' ' VAL . 12.7 mtp85 -101.81 148.61 25.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.452 HG21 HG12 ' A' ' 37' ' ' ILE . 94.2 t -126.39 80.28 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.5 t -69.77 86.1 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 108.303 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.2 mtmt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.482 ' CG2' ' HB3' ' A' ' 11' ' ' ARG . 2.0 p . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.42 ' HB3' ' CE2' ' A' ' 40' ' ' TYR . 21.0 mtm -126.58 125.65 24.46 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 105.04 2.0 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 0.0 111.033 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.802 HG21 HG12 ' A' ' 37' ' ' ILE . 47.9 t -99.23 147.47 7.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.551 ' O ' HG13 ' A' ' 24' ' ' VAL . 71.9 t -115.83 147.96 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.551 HG13 ' O ' ' A' ' 23' ' ' VAL . 5.7 m -155.69 170.49 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.443 HG23 ' C ' ' A' ' 27' ' ' ASN . 34.0 m -63.82 155.26 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.04 -29.2 12.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.443 ' C ' HG23 ' A' ' 25' ' ' VAL . 2.0 m-80 -126.96 66.41 1.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.447 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -88.31 176.41 7.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 69.7 p -128.49 -173.81 3.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.443 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.506 HG21 ' O ' ' A' ' 74' ' ' GLU . 70.7 t -64.27 -44.31 97.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 31' ' ' LEU . 9.9 tp -55.04 -65.26 0.61 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.54 -56.13 2.66 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.769 HD12 HD13 ' A' ' 65' ' ' LEU . 0.3 OUTLIER -39.76 -65.88 0.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.528 ' HG2' ' CE3' ' A' ' 60' ' ' TRP . 1.4 mptp? -44.52 -63.44 0.9 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.85 -60.7 1.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.108 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.507 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -43.64 -65.75 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.802 HG12 HG21 ' A' ' 22' ' ' VAL . 71.1 mt -39.78 -37.46 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 109.284 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -77.07 -46.49 23.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.85 ' O ' HD23 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -68.27 -7.56 31.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.256 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.42 ' CE2' ' HB3' ' A' ' 20' ' ' MET . 69.1 t80 -86.52 -37.99 17.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.4 t -93.89 -39.28 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.41 -67.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.85 HD23 ' O ' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -47.71 -40.23 19.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.73 -65.29 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -47.96 -57.99 5.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 110.301 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.4 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -74.86 -45.83 40.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 107.993 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 61' ' ' ARG . 2.0 m -40.14 -60.98 0.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.966 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -45.4 -53.53 8.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.9 t -50.88 -52.56 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.528 ' CE3' ' HG2' ' A' ' 34' ' ' LYS . 73.4 m95 -64.58 -26.09 68.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 107.99 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 57' ' ' SER . 0.0 OUTLIER -93.13 19.36 8.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.277 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.444 HG22 ' CD2' ' A' ' 63' ' ' TYR . 1.4 m -140.48 -48.96 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.444 ' CD2' HG22 ' A' ' 62' ' ' THR . 98.7 m-85 -110.05 172.21 7.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 53.7 m-70 -148.98 166.37 28.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.61 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.769 HD13 HD12 ' A' ' 33' ' ' LEU . 13.5 mt -93.86 131.87 38.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.6 HG22 ' O ' ' A' ' 91' ' ' SER . 1.1 t -106.58 171.83 7.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 110.381 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.885 ' HB3' HD21 ' A' ' 72' ' ' LEU . 8.8 t 171.25 143.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.003 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 67' ' ' SER . . . 39.98 60.89 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 39.26 35.88 0.51 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.111 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 67' ' ' SER . 0.6 OUTLIER -139.75 151.08 45.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 0.747 . . . . 0.0 110.318 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.94 135.7 33.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.885 HD21 ' HB3' ' A' ' 67' ' ' SER . 13.9 mt -95.3 87.94 4.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.4 p -111.99 -52.32 2.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 110.356 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.506 ' O ' HG21 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -48.31 128.44 14.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.56 -39.11 10.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.77 -25.12 68.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.44 1.088 . . . . 0.0 110.276 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -78.75 146.72 33.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -93.84 149.08 21.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 46.7 mt -56.4 -39.59 73.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -55.83 -42.62 75.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -61.87 -24.59 67.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -89.75 10.92 21.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.64 28.65 64.91 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.532 1.145 . . . . 0.0 110.959 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 10.7 mt -104.86 112.85 40.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 0.77 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -108.75 -174.44 2.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.256 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 87' ' ' ARG . 7.6 t30 -63.3 155.73 27.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.451 ' N ' ' OD1' ' A' ' 86' ' ' ASN . 15.0 mtt180 47.97 57.03 6.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.81 163.53 14.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -115.8 138.33 51.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.355 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.4 t -138.47 151.28 24.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.6 ' O ' HG22 ' A' ' 66' ' ' THR . 0.1 OUTLIER -126.33 166.28 17.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.023 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.545 ' CZ ' HD21 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -100.19 140.75 33.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.992 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.7 tt -114.89 160.08 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -105.81 135.11 47.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.435 ' SD ' ' CG2' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -142.26 -178.23 5.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 0.788 . . . . 0.0 111.043 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -128.46 100.08 5.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.41 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.686 HG11 HD21 ' A' ' 33' ' ' LEU . 92.7 t -96.89 116.37 38.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.458 ' HB3' ' CG2' ' A' ' 19' ' ' VAL . 26.4 mtt-85 -86.79 141.81 28.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 110.274 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.82 HG21 ' CD1' ' A' ' 37' ' ' ILE . 73.0 t -120.99 86.61 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 14' ' ' LYS . 4.3 m -69.38 83.36 0.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 108.296 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 13' ' ' CYS . 47.9 mtmt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' ' 11' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.473 ' HB3' ' CE2' ' A' ' 40' ' ' TYR . 25.4 mtm -118.48 123.34 29.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 105.53 2.1 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.797 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.988 HG21 HG12 ' A' ' 37' ' ' ILE . 47.2 t -100.81 150.1 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.457 ' O ' HG13 ' A' ' 24' ' ' VAL . 70.3 t -116.91 147.0 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 23' ' ' VAL . 21.4 m -154.17 165.33 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.42 HG23 ' C ' ' A' ' 27' ' ' ASN . 20.5 m -58.44 155.64 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -55.48 -18.23 6.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.279 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.42 ' C ' HG23 ' A' ' 25' ' ' VAL . 2.7 p30 -135.12 63.88 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.448 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -90.78 175.44 7.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.409 HG22 ' CG ' ' A' ' 78' ' ' LYS . 38.4 p -129.43 -176.82 4.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.387 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.522 HG21 ' O ' ' A' ' 74' ' ' GLU . 55.3 t -58.52 -42.18 83.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.1 tp -58.03 -64.94 0.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -40.27 -55.35 2.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.813 HD12 HD13 ' A' ' 65' ' ' LEU . 0.3 OUTLIER -40.19 -58.04 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -51.97 -61.47 2.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.25 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -41.37 -52.93 3.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.637 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -53.49 -67.93 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.988 HG12 HG21 ' A' ' 22' ' ' VAL . 86.3 mt -39.62 -33.4 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.402 ' N ' ' C ' ' A' ' 36' ' ' ALA . 8.8 mt-30 -76.42 -56.57 4.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.265 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.714 ' O ' HD23 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -59.83 -14.21 13.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.473 ' CE2' ' HB3' ' A' ' 20' ' ' MET . 93.5 t80 -77.12 -48.78 16.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.5 t -87.08 -48.3 15.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -46.74 -59.46 3.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.326 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.753 ' C ' HD12 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -57.28 -39.99 76.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -51.14 -72.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -44.78 -49.28 10.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 0.0 110.293 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.3 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.443 ' HB3' ' CD1' ' A' ' 60' ' ' TRP . 22.4 m95 -55.26 -34.2 63.84 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 61' ' ' ARG . 39.4 m -50.21 -56.85 9.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.967 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -57.39 -49.22 76.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.6 t -52.37 -64.14 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.443 ' CD1' ' HB3' ' A' ' 56' ' ' TRP . 64.9 m95 -57.36 -26.81 61.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 108.009 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.412 ' O ' ' CG ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -95.78 35.14 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 64.3 m -156.54 -45.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.426 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.558 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 95.0 m-85 -122.57 147.81 45.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -118.77 175.71 5.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.622 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.813 HD13 HD12 ' A' ' 33' ' ' LEU . 42.0 mt -99.52 132.35 44.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.527 HG22 ' O ' ' A' ' 91' ' ' SER . 1.0 OUTLIER -122.6 169.72 10.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.707 ' HB2' HG22 ' A' ' 90' ' ' VAL . 1.0 OUTLIER -178.03 132.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.002 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 67' ' ' SER . . . 69.43 -64.69 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 67' ' ' SER . . . 169.58 39.66 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -143.22 133.49 24.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 110.273 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 61.7 mttt -72.14 113.76 9.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.774 HD23 ' CE1' ' A' ' 82' ' ' TYR . 14.3 mt -78.12 87.98 4.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.7 p -114.78 -52.51 2.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.452 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.522 ' O ' HG21 ' A' ' 30' ' ' VAL . 0.4 OUTLIER -48.03 124.2 7.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.338 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.63 -42.28 11.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.15 -32.37 68.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -74.36 147.02 42.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.409 ' CG ' HG22 ' A' ' 29' ' ' THR . 0.0 OUTLIER -97.93 150.57 21.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.7 mt -55.4 -37.64 67.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -59.12 -43.4 91.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.58 -11.93 61.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.774 ' CE1' HD23 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -90.84 -7.23 52.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.976 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 99.11 -5.88 59.53 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.517 1.135 . . . . 0.0 111.022 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.502 ' CG2' ' CG ' ' A' ' 88' ' ' ASP . 20.3 mt -81.55 148.99 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.71 -175.36 4.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -57.31 130.39 46.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 18.8 mtm180 65.15 73.3 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.322 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.515 ' OD1' HG22 ' A' ' 10' ' ' VAL . 6.2 p-10 -120.94 -175.6 3.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -128.11 115.99 19.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.707 HG22 ' HB2' ' A' ' 67' ' ' SER . 3.2 t -119.94 150.55 22.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.527 ' O ' HG22 ' A' ' 66' ' ' THR . 0.0 OUTLIER -136.62 166.59 23.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.958 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.557 ' CZ ' HD21 ' A' ' 65' ' ' LEU . 1.2 m-85 -100.51 127.28 46.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 63' ' ' TYR . 3.2 tt -107.7 166.49 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.558 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 35.0 tttt -109.77 134.64 51.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.6 mttp . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.359 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.456 ' SD ' ' CG2' ' A' ' 24' ' ' VAL . 0.6 OUTLIER -147.33 173.08 12.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 0.76 . . . . 0.0 110.972 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -124.5 98.15 5.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.444 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.536 HG22 ' OD1' ' A' ' 88' ' ' ASP . 89.1 t -92.2 122.65 43.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.517 ' HB3' HG21 ' A' ' 19' ' ' VAL . 5.3 mtt180 -86.87 145.73 26.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 70.9 t -118.97 79.08 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 14' ' ' LYS . 28.6 t -68.49 88.16 0.33 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 108.297 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 13' ' ' CYS . 3.8 mtmt . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.517 HG21 ' HB3' ' A' ' 11' ' ' ARG . 3.1 p . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.8 mtp -113.97 122.74 34.09 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 109.45 2.93 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.508 1.794 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.87 HG21 HG12 ' A' ' 37' ' ' ILE . 67.5 t -102.17 149.63 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.451 ' C ' HG13 ' A' ' 24' ' ' VAL . 54.1 t -114.3 143.4 24.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.456 ' CG2' ' SD ' ' A' ' 8' ' ' MET . 35.1 m -154.81 159.29 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.633 HG22 ' HB2' ' A' ' 28' ' ' ALA . 25.7 m -48.49 156.66 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -17.2 13.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.521 ' C ' HG23 ' A' ' 25' ' ' VAL . 54.9 m-20 -137.72 62.62 1.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.633 ' HB2' HG22 ' A' ' 25' ' ' VAL . . . -89.04 176.05 7.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.483 ' C ' HD21 ' A' ' 79' ' ' LEU . 20.9 p -131.01 -176.09 3.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.432 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.435 ' N ' HD21 ' A' ' 79' ' ' LEU . 46.7 t -55.12 -47.29 77.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.1 tp -54.97 -62.38 1.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.448 ' HB3' ' HB1' ' A' ' 28' ' ' ALA . 3.7 t70 -40.46 -58.24 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.672 ' CD1' HD11 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -40.76 -58.26 1.7 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.535 ' HG3' HD11 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -54.62 -45.42 73.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -58.45 -37.47 75.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.531 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -67.57 -70.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.87 HG12 HG21 ' A' ' 22' ' ' VAL . 55.0 mt -39.97 -31.06 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.422 ' N ' ' C ' ' A' ' 36' ' ' ALA . 4.6 mt-30 -70.17 -56.69 6.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.772 ' O ' HD23 ' A' ' 43' ' ' LEU . 1.2 mpt_? -69.04 -6.57 28.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -86.58 -38.52 17.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 91.8 t -94.28 -38.4 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -61.32 -67.7 0.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.336 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.777 ' C ' HD12 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -42.68 -38.8 2.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.41 ' N ' HD12 ' A' ' 43' ' ' LEU . 2.3 tttp -60.5 -71.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -44.07 -36.82 2.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.267 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.528 ' O ' HG23 ' A' ' 59' ' ' VAL . 21.6 p . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 26.8 m95 -64.82 -35.79 82.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 108.011 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.456 ' O ' ' CB ' ' A' ' 61' ' ' ARG . 0.2 OUTLIER -47.09 -59.36 3.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.969 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -64.1 -49.28 72.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 110.967 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 55' ' ' SER . 54.9 t -46.89 -66.67 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.432 ' CZ3' ' HG2' ' A' ' 34' ' ' LYS . 44.7 m95 -57.39 -37.94 73.48 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.456 ' CB ' ' O ' ' A' ' 57' ' ' SER . 0.3 OUTLIER -88.48 43.64 1.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.264 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.2 m -157.52 -46.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 110.359 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.487 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 96.7 m-85 -124.06 168.89 12.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -138.19 176.12 8.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.598 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.535 HD11 ' HG3' ' A' ' 34' ' ' LYS . 21.9 mt -101.7 134.28 45.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.246 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.13 168.61 15.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.396 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.714 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 0.2 OUTLIER 176.3 126.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.025 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.714 ' HB3' ' O ' ' A' ' 67' ' ' SER . . . 85.21 -47.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.251 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 157.02 -23.56 0.47 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.78 160.7 22.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 0.759 . . . . 0.0 110.358 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -97.81 118.81 35.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.1 mt -74.88 85.64 2.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.4 p -116.21 -8.8 11.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.145 . . . . 0.0 110.399 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.416 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 1.5 mp0 -89.67 109.12 20.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.291 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -76.8 -27.52 55.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.5 mmt85 -81.88 -20.41 38.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.518 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 9.5 tttt -84.67 124.68 31.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.412 ' CG ' HG22 ' A' ' 29' ' ' THR . 5.0 mttt -73.79 151.07 40.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.483 HD21 ' C ' ' A' ' 29' ' ' THR . 17.2 mt -59.83 -39.27 84.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -59.77 -41.65 91.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -64.53 -18.15 64.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.518 ' CD2' ' HG2' ' A' ' 77' ' ' LYS . 0.8 OUTLIER -92.99 -1.18 56.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 91.29 8.35 64.51 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.545 1.153 . . . . 0.0 111.027 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.508 ' CG2' ' CG ' ' A' ' 88' ' ' ASP . 47.6 mt -93.15 111.41 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.76 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -102.4 -175.0 2.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.152 . . . . 0.0 110.273 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -66.1 144.65 56.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.77 32.71 6.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.345 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.536 ' OD1' HG22 ' A' ' 10' ' ' VAL . 4.7 p-10 -85.87 -173.45 4.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -137.65 120.12 15.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.475 HG22 ' HB2' ' A' ' 67' ' ' SER . 2.8 t -115.8 149.98 17.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.27 168.99 13.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.017 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.525 ' CE1' ' CD2' ' A' ' 65' ' ' LEU . 0.4 OUTLIER -107.34 130.23 54.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.969 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.8 tt -107.09 163.24 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.487 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 7.0 tttt -110.77 131.13 55.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.86 -176.91 6.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 111.063 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -125.38 100.08 6.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.385 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.721 HG11 HD21 ' A' ' 33' ' ' LEU . 88.4 t -98.42 109.55 24.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.463 ' HB3' HG13 ' A' ' 19' ' ' VAL . 80.4 mtt180 -79.62 116.21 19.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.47 HG21 HD13 ' A' ' 37' ' ' ILE . 4.2 p -91.77 143.49 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.3 t -111.75 93.22 4.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 108.306 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.958 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.463 HG13 ' HB3' ' A' ' 11' ' ' ARG . 55.1 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.401 ' HB2' HG12 ' A' ' 12' ' ' VAL . 4.3 mtp -123.92 122.32 26.31 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 107.66 2.54 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.501 1.79 . . . . 0.0 110.947 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.811 HG21 HG12 ' A' ' 37' ' ' ILE . 79.3 t -101.55 148.98 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 109.364 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.595 ' O ' HG13 ' A' ' 24' ' ' VAL . 13.1 p -115.56 147.42 18.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.713 HG12 ' OD1' ' A' ' 32' ' ' ASP . 16.0 m -157.61 166.18 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.453 HG23 ' C ' ' A' ' 27' ' ' ASN . 32.7 m -65.11 152.95 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.2 -27.44 8.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.453 ' C ' HG23 ' A' ' 25' ' ' VAL . 19.1 m-20 -124.6 59.21 1.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.474 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -85.58 175.87 8.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.584 ' C ' HD21 ' A' ' 79' ' ' LEU . 18.8 p -131.08 178.89 6.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.377 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.477 ' N ' HD21 ' A' ' 79' ' ' LEU . 73.9 t -53.89 -48.52 62.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.611 HD22 ' CE ' ' A' ' 35' ' ' LYS . 1.2 mt -54.08 -54.16 43.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.713 ' OD1' HG12 ' A' ' 24' ' ' VAL . 7.7 t70 -46.61 -54.36 9.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.752 HD12 HD13 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -40.17 -53.15 2.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.559 ' HG2' ' CZ3' ' A' ' 60' ' ' TRP . 1.0 OUTLIER -63.29 -55.63 23.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.611 ' CE ' HD22 ' A' ' 31' ' ' LEU . 39.4 mttt -49.49 -27.1 3.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.521 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -78.74 -67.07 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.811 HG12 HG21 ' A' ' 22' ' ' VAL . 58.9 mt -40.64 -29.81 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.439 ' N ' ' C ' ' A' ' 36' ' ' ALA . 7.5 mt-30 -76.97 -49.3 15.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 36' ' ' ALA . 24.7 mmt180 -68.24 -6.72 25.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.428 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 5.1 t80 -85.64 -39.11 17.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.7 t -94.92 -43.3 12.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.8 -70.8 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 mt -52.19 -59.45 4.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 40' ' ' TYR . 82.7 tttt -40.52 -63.97 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -47.29 -51.32 19.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.587 1.179 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.323 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -48.0 -37.95 15.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 107.998 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -42.87 -61.58 1.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.996 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.534 ' CE1' ' OG1' ' A' ' 62' ' ' THR . 27.8 t80 -62.73 -42.52 99.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 111.038 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 54.4 t -47.35 -53.62 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.559 ' CZ3' ' HG2' ' A' ' 34' ' ' LYS . 29.1 m95 -68.88 -27.14 65.53 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.57 26.64 2.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.345 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.639 HG22 ' CD2' ' A' ' 63' ' ' TYR . 1.2 m -150.65 -47.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.438 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.639 ' CD2' HG22 ' A' ' 62' ' ' THR . 97.1 m-85 -113.2 160.29 18.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.949 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.561 ' HB2' HG23 ' A' ' 93' ' ' ILE . 61.4 m-70 -126.73 177.43 6.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.606 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.752 HD13 HD12 ' A' ' 33' ' ' LEU . 31.4 mt -108.4 117.14 33.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.418 ' O ' HG13 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -115.43 162.97 16.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.39 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.6 t -133.5 -61.74 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.008 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -162.26 73.51 0.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.76 -36.07 3.52 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.512 1.133 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -80.74 117.03 21.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.763 . . . . 0.0 110.238 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.483 ' HE2' HD13 ' A' ' 93' ' ' ILE . 39.8 mttt -82.57 115.78 21.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.567 HD21 HD11 ' A' ' 84' ' ' ILE . 13.7 mt -76.98 92.0 3.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 76.0 p -120.08 -58.54 1.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.87 121.65 4.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.337 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.437 ' HB3' ' CG ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -91.62 -38.85 12.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -63.1 -12.22 25.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.26 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -97.06 138.61 34.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.098 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -81.45 154.04 26.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.584 HD21 ' C ' ' A' ' 29' ' ' THR . 19.6 mt -63.74 -41.45 98.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -59.31 -24.15 63.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.262 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.58 -8.57 59.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -106.59 -1.4 22.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 98.72 -11.74 62.77 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.567 HD11 HD21 ' A' ' 72' ' ' LEU . 73.1 mt -76.57 124.17 34.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.431 ' NH1' ' HB3' ' A' ' 85' ' ' ARG . 5.6 mmm180 -124.47 -175.49 3.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.324 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -59.37 144.88 45.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.98 57.23 1.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -118.73 172.36 7.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -132.81 110.63 10.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.418 HG13 ' O ' ' A' ' 66' ' ' THR . 3.9 t -103.24 149.09 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -120.45 168.68 11.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.012 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.538 ' CZ ' HD21 ' A' ' 65' ' ' LEU . 3.5 m-85 -101.2 163.05 12.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.105 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.561 HG23 ' HB2' ' A' ' 64' ' ' HIS . 7.6 tt -143.42 155.77 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.7 tttt -107.69 136.22 47.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -147.97 170.68 17.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 111.027 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -120.81 95.5 4.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.396 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.829 HG11 HD21 ' A' ' 33' ' ' LEU . 91.1 t -87.31 112.6 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.463 ' HB3' ' CG2' ' A' ' 19' ' ' VAL . 41.1 mtt180 -84.18 134.05 34.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.351 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.691 HG21 HD11 ' A' ' 37' ' ' ILE . 61.8 t -117.49 91.28 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 14' ' ' LYS . 3.5 m -74.35 84.77 1.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 108.268 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 13' ' ' CYS . 35.1 mtmt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.463 ' CG2' ' HB3' ' A' ' 11' ' ' ARG . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.441 ' HB3' ' CZ ' ' A' ' 40' ' ' TYR . 1.2 mtp -113.28 123.05 34.14 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 107.26 2.44 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.498 1.788 . . . . 0.0 110.955 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.901 HG21 HG12 ' A' ' 37' ' ' ILE . 45.7 t -103.34 146.88 10.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.3 t -117.2 142.13 32.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.462 ' HB ' ' CB ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -145.9 -176.18 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.458 HG23 ' C ' ' A' ' 27' ' ' ASN . 34.1 m -81.64 146.1 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -44.8 -27.92 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.458 ' C ' HG23 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -122.82 60.81 1.02 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.462 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -92.93 170.49 9.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 29.4 p -130.91 -176.27 3.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.412 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 74' ' ' GLU . 48.2 t -57.01 -41.75 77.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 tp -54.52 -68.34 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.6 OUTLIER -42.87 -47.84 5.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.829 HD21 HG11 ' A' ' 10' ' ' VAL . 0.6 OUTLIER -38.76 -70.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.562 ' HG2' ' CE3' ' A' ' 60' ' ' TRP . 0.8 OUTLIER -49.45 -56.38 9.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -42.2 -42.93 3.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.621 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -67.36 -67.63 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.901 HG12 HG21 ' A' ' 22' ' ' VAL . 96.8 mt -39.81 -30.76 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.437 ' N ' ' C ' ' A' ' 36' ' ' ALA . 9.2 mt-30 -76.1 -49.68 16.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.806 ' O ' HD23 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -67.67 -8.1 32.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.332 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.473 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 2.8 t80 -85.17 -39.19 18.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.9 t -93.49 -41.6 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.38 -68.86 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.806 HD23 ' O ' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -43.47 -41.13 4.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.461 ' N ' HD12 ' A' ' 43' ' ' LEU . 6.4 ttpt -60.9 -70.76 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.25 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -44.45 -52.54 7.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.325 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.491 ' HB3' ' CD1' ' A' ' 60' ' ' TRP . 24.5 m95 -52.65 -46.79 67.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 107.996 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.06 -60.23 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.938 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -62.46 -52.33 63.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 47.8 t -47.63 -49.24 10.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.562 ' CE3' ' HG2' ' A' ' 34' ' ' LYS . 41.9 m95 -68.12 -31.94 71.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 107.986 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.59 39.95 0.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.34 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 83.8 m -155.2 -48.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.417 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.475 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 80.1 m-85 -116.9 153.7 32.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.812 ' ND1' HG22 ' A' ' 73' ' ' THR . 96.4 m-70 -129.89 170.23 14.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.603 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.683 ' HG ' HD12 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -89.25 113.32 24.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.323 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.617 HG22 ' O ' ' A' ' 91' ' ' SER . 0.0 OUTLIER -105.81 161.97 13.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 110.399 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.598 ' HB2' HG22 ' A' ' 90' ' ' VAL . 46.7 t -158.09 -76.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.006 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.69 31.14 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.98 -27.61 7.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.09 116.59 18.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 0.756 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.433 ' HG2' HG21 ' A' ' 93' ' ' ILE . 40.2 mttt -66.74 112.35 4.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.716 HD21 HD11 ' A' ' 84' ' ' ILE . 4.8 mt -72.24 98.76 2.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.812 HG22 ' ND1' ' A' ' 64' ' ' HIS . 40.9 p -122.05 -42.74 2.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.41 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.491 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 2.2 mm-40 -54.32 116.93 2.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -78.61 -24.7 45.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.4 mmt85 -79.17 -28.54 42.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.465 ' HG2' ' CE2' ' A' ' 82' ' ' TYR . 22.6 tttt -81.78 120.82 25.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -69.32 155.94 39.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.539 HD11 HD23 ' A' ' 33' ' ' LEU . 83.0 mt -63.0 -33.24 74.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.44 -32.81 73.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.44 1.087 . . . . 0.0 110.309 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -65.96 -24.41 66.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.515 ' CD1' HD23 ' A' ' 72' ' ' LEU . 9.2 m-85 -88.68 -7.02 57.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.21 23.72 21.38 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.716 HD11 HD21 ' A' ' 72' ' ' LEU . 12.4 mt -100.52 116.9 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.764 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 51.7 mmt-85 -113.84 -175.37 2.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.404 ' OD1' ' C ' ' A' ' 86' ' ' ASN . 4.6 t-20 -60.46 138.37 58.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 109.305 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.6 mtt85 63.95 62.03 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.42 ' CG ' HG23 ' A' ' 84' ' ' ILE . 8.1 t70 -110.77 174.87 5.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -123.04 108.93 13.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.318 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.598 HG22 ' HB2' ' A' ' 67' ' ' SER . 5.7 t -114.07 157.84 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.617 ' O ' HG22 ' A' ' 66' ' ' THR . 0.6 OUTLIER -146.61 164.92 31.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.004 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -96.91 119.94 36.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.611 ' HB ' HG21 ' A' ' 66' ' ' THR . 20.3 tt -106.48 159.16 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.475 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 7.4 tttt -101.47 128.45 47.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.408 ' HD2' ' NE2' ' A' ' 64' ' ' HIS . 43.8 mtpt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.417 ' CA ' ' O ' ' A' ' 24' ' ' VAL . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.415 ' HA ' ' OD1' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -146.08 175.53 10.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 111.027 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -120.26 95.55 4.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.404 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.436 HG11 HD21 ' A' ' 33' ' ' LEU . 64.9 t -86.91 119.35 34.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.536 ' HB3' HG11 ' A' ' 19' ' ' VAL . 8.3 mtt-85 -92.13 108.77 20.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.57 HG13 ' CD1' ' A' ' 92' ' ' PHE . 41.1 t -74.16 136.6 24.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.475 ' CB ' ' HA ' ' A' ' 91' ' ' SER . 0.1 OUTLIER -106.4 79.75 1.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 108.305 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.7 mtmt . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.974 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.536 HG11 ' HB3' ' A' ' 11' ' ' ARG . 78.9 t . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.3 mtp -122.86 122.33 27.12 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 108.4 2.71 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.472 1.775 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.849 HG21 HG12 ' A' ' 37' ' ' ILE . 60.1 t -103.77 146.19 11.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.1 t -114.1 139.88 37.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.417 ' O ' ' CA ' ' A' ' 7' ' ' GLY . 3.1 m -149.41 176.66 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.455 HG23 ' C ' ' A' ' 27' ' ' ASN . 31.5 m -79.3 144.68 10.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -43.27 -26.57 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.302 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.455 ' C ' HG23 ' A' ' 25' ' ' VAL . 6.5 p30 -128.12 65.29 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -92.34 177.26 6.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 72.7 p -131.15 -175.86 3.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.402 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.552 ' HA ' HD21 ' A' ' 79' ' ' LEU . 98.7 t -58.18 -40.96 79.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 tp -56.73 -64.92 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -41.8 -52.88 3.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.714 HD23 ' CD1' ' A' ' 79' ' ' LEU . 0.6 OUTLIER -38.16 -71.66 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.693 ' HG3' HD21 ' A' ' 65' ' ' LEU . 0.3 OUTLIER -50.46 -53.97 25.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -43.56 -50.01 7.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.479 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -60.49 -68.44 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.849 HG12 HG21 ' A' ' 22' ' ' VAL . 95.9 mt -39.05 -32.62 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.415 ' N ' ' C ' ' A' ' 36' ' ' ALA . 4.3 mt-30 -77.05 -50.04 13.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 110.288 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 36' ' ' ALA . 1.3 tpm_? -67.58 -6.71 21.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.427 ' O ' ' CB ' ' A' ' 44' ' ' LYS . 6.9 t80 -86.73 -38.96 16.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.1 t -94.85 -41.34 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -70.89 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 43' ' ' LEU . 3.8 mt -51.93 -59.27 4.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 40' ' ' TYR . 53.6 tttt -41.48 -65.29 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -47.54 -47.82 27.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.306 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.262 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.468 ' O ' HG23 ' A' ' 59' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 54.6 m95 -60.53 -34.5 74.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 108.019 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.26 -58.52 5.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.968 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.469 ' C ' ' CD1' ' A' ' 58' ' ' TYR . 1.6 t80 -60.39 -35.59 76.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 55' ' ' SER . 79.1 t -62.06 -64.65 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.557 ' CE3' ' HG2' ' A' ' 34' ' ' LYS . 48.9 m95 -58.1 -24.31 58.16 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.568 1.167 . . . . 0.0 108.021 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -91.21 32.44 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 53.5 m -151.87 -45.52 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.408 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.496 ' CE1' ' HB2' ' A' ' 94' ' ' LYS . 94.3 m-85 -116.43 167.9 10.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.404 ' C ' HD13 ' A' ' 65' ' ' LEU . 74.1 m-70 -147.1 166.16 27.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.581 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.693 HD21 ' HG3' ' A' ' 34' ' ' LYS . 0.2 OUTLIER -88.63 118.16 28.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.532 ' O ' HG13 ' A' ' 90' ' ' VAL . 0.5 OUTLIER -116.14 165.06 13.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.429 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.5 t -143.59 -71.11 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.973 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.24 56.59 1.84 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.26 -34.02 3.92 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.547 1.154 . . . . 0.0 110.977 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.481 ' HB3' ' CD1' ' A' ' 82' ' ' TYR . 1.2 mt-10 -67.18 99.52 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -69.81 110.5 4.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.879 HD21 HD11 ' A' ' 84' ' ' ILE . 11.3 mt -66.88 87.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 79.1 p -118.11 -38.45 3.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.428 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.48 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.7 OUTLIER -62.81 114.43 3.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.341 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -77.34 -32.16 54.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -73.81 -26.67 60.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.469 ' HG2' ' CE2' ' A' ' 82' ' ' TYR . 11.9 tttt -80.06 137.85 36.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.49 152.75 23.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.714 ' CD1' HD23 ' A' ' 33' ' ' LEU . 25.1 mt -66.18 -33.23 75.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -63.38 -38.45 91.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.37 -20.85 66.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.481 ' CD1' ' HB3' ' A' ' 70' ' ' GLU . 5.9 m-85 -91.07 11.1 24.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 77.07 19.88 76.6 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.879 HD11 HD21 ' A' ' 72' ' ' LEU . 21.0 mt -99.84 104.25 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 0.76 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -100.91 -174.41 2.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.415 ' OD1' ' HA ' ' A' ' 8' ' ' MET . 5.6 t30 -66.16 154.93 38.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.51 40.88 31.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.364 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -102.3 158.56 16.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -113.55 112.14 23.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' ' 66' ' ' THR . 25.4 t -97.76 147.72 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.475 ' HA ' ' CB ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -110.49 168.52 9.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.994 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.57 ' CD1' HG13 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -113.81 132.85 55.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 63' ' ' TYR . 12.5 tt -124.14 152.85 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.496 ' HB2' ' CE1' ' A' ' 63' ' ' TYR . 4.2 ttmt -105.05 133.86 49.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.332 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.0 175.81 9.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -121.01 104.41 9.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.432 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.563 ' HB ' HD21 ' A' ' 33' ' ' LEU . 87.1 t -99.96 109.94 25.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.458 ' HB3' ' CG2' ' A' ' 19' ' ' VAL . 4.3 mtt180 -78.91 137.9 37.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.342 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.527 HG21 ' CD1' ' A' ' 37' ' ' ILE . 53.2 t -120.16 88.94 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 14' ' ' LYS . 8.8 t -70.89 83.33 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 108.291 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 13' ' ' CYS . 56.7 mtmt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' ' 11' ' ' ARG . 1.5 p . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.5 mtp -130.96 122.74 19.53 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 110.944 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 106.6 2.31 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.526 1.803 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.831 HG21 HG12 ' A' ' 37' ' ' ILE . 56.9 t -102.43 148.43 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.49 ' O ' HG13 ' A' ' 24' ' ' VAL . 12.1 p -114.13 145.55 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.49 HG13 ' O ' ' A' ' 23' ' ' VAL . 15.7 m -154.51 167.05 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.47 HG22 ' HB2' ' A' ' 28' ' ' ALA . 17.0 m -61.28 154.73 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -53.67 -19.64 4.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.407 ' C ' HG23 ' A' ' 25' ' ' VAL . 36.5 p30 -135.3 66.05 1.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.47 ' HB2' HG22 ' A' ' 25' ' ' VAL . . . -95.43 166.97 11.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.8 p -113.93 -174.0 2.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.422 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.778 HG12 ' HE2' ' A' ' 34' ' ' LYS . 88.7 t -60.48 -64.65 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.426 HD21 ' HE3' ' A' ' 35' ' ' LYS . 19.3 tp -40.86 -58.25 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 31' ' ' LEU . 0.8 OUTLIER -39.51 -59.9 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.337 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.799 ' CD1' HD11 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -45.29 -48.76 12.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.778 ' HE2' HG12 ' A' ' 30' ' ' VAL . 25.9 mtmt -59.68 -44.95 93.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.426 ' HE3' HD21 ' A' ' 31' ' ' LEU . 32.5 mttt -57.5 -50.79 71.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.403 ' CB ' ' CG1' ' A' ' 22' ' ' VAL . . . -56.37 -62.34 1.79 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.831 HG12 HG21 ' A' ' 22' ' ' VAL . 61.9 mt -39.82 -33.2 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -76.97 -54.03 7.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.981 ' O ' HD23 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -63.51 -11.4 23.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.323 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.483 ' HD1' HG23 ' A' ' 41' ' ' VAL . 56.1 t80 -82.23 -40.29 21.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.483 HG23 ' HD1' ' A' ' 40' ' ' TYR . 72.8 t -94.34 -44.79 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.238 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.04 -62.39 1.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.981 HD23 ' O ' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -53.84 -42.16 68.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.409 ' N ' ' HG ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -50.89 -68.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.35 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.4 mt-30 -53.05 -49.79 65.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 0.0 110.327 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.494 ' HB3' ' CD1' ' A' ' 60' ' ' TRP . 65.4 m95 -74.78 -40.72 61.0 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.021 -1.104 . . . . 0.0 108.021 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.25 -58.75 1.72 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.951 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -56.34 -57.13 13.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 71.2 t -45.78 -57.18 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.559 ' CZ3' ' HG2' ' A' ' 34' ' ' LYS . 47.7 m95 -59.46 -34.46 72.57 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.21 38.5 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.6 m -155.07 -50.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 110.414 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -114.66 148.71 37.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -120.89 168.66 11.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.558 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.555 HD11 ' HG2' ' A' ' 34' ' ' LYS . 13.7 mt -93.1 128.73 39.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.631 HG22 ' O ' ' A' ' 91' ' ' SER . 1.1 t -106.43 170.04 8.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.354 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.688 ' HB3' HD11 ' A' ' 72' ' ' LEU . 4.8 t 170.39 143.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 110.03 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 46.8 32.94 1.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 58.18 34.79 74.81 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -135.75 118.88 16.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.752 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.566 ' HE2' HD13 ' A' ' 93' ' ' ILE . 9.4 mmtt -58.02 128.43 37.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.688 HD11 ' HB3' ' A' ' 67' ' ' SER . 13.0 mt -97.99 81.3 2.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.3 p -95.99 -47.71 6.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.436 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.491 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.6 OUTLIER -52.4 135.25 33.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.346 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.42 ' HB3' ' HB2' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -98.8 -42.97 6.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.35 -19.84 65.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.255 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.453 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 1.0 OUTLIER -76.91 127.22 32.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.13 147.84 40.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 32.8 mt -58.54 -34.57 71.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 22.4 ttt-85 -62.64 -37.42 86.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.309 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.16 -12.71 61.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.632 ' CE1' HD23 ' A' ' 72' ' ' LEU . 1.2 m-85 -97.05 9.36 42.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 81.55 11.78 82.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.712 HG23 ' OD2' ' A' ' 88' ' ' ASP . 34.3 mt -88.42 152.97 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 109.329 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.449 ' NH1' ' CG ' ' A' ' 88' ' ' ASP . 0.0 OUTLIER -148.05 -175.47 4.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -63.71 132.0 49.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 68.46 73.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 0.0 110.313 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.712 ' OD2' HG23 ' A' ' 84' ' ' ILE . 43.5 t0 -123.86 174.49 7.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -121.88 112.44 18.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.511 HG22 ' HB2' ' A' ' 67' ' ' SER . 4.1 t -115.64 158.86 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.631 ' O ' HG22 ' A' ' 66' ' ' THR . 0.3 OUTLIER -148.58 166.94 26.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.444 ' CE1' ' CD2' ' A' ' 65' ' ' LEU . 2.7 m-85 -97.06 140.64 31.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.566 HD13 ' HE2' ' A' ' 71' ' ' LYS . 9.1 tt -127.89 155.63 39.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -99.9 144.0 29.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.994 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.5 ' CG ' HG23 ' A' ' 24' ' ' VAL . 2.1 ptm -158.74 154.34 26.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 0.773 . . . . 0.0 110.97 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.4 m -100.77 107.36 18.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.411 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.699 HG11 HD21 ' A' ' 33' ' ' LEU . 82.2 t -105.96 127.08 61.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.682 ' HB3' HG13 ' A' ' 19' ' ' VAL . 11.3 mtt-85 -90.34 149.29 22.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.515 HG21 ' CD1' ' A' ' 37' ' ' ILE . 90.2 t -130.71 126.56 60.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 15.9 t -90.5 85.77 6.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 108.268 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.356 179.951 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.682 HG13 ' HB3' ' A' ' 11' ' ' ARG . 98.0 t . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 7.3 mtp -117.61 122.38 30.88 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 108.33 2.69 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.495 1.787 . . . . 0.0 111.023 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.924 HG21 HG12 ' A' ' 37' ' ' ILE . 90.0 t -102.86 151.82 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.5 t -115.51 136.88 50.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.5 HG23 ' CG ' ' A' ' 8' ' ' MET . 19.7 m -149.32 163.1 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.537 HG23 ' C ' ' A' ' 27' ' ' ASN . 23.7 m -62.72 149.79 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -49.44 -22.56 1.21 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.142 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.537 ' C ' HG23 ' A' ' 25' ' ' VAL . 8.1 m120 -132.31 60.54 1.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.502 ' HB2' HG22 ' A' ' 25' ' ' VAL . . . -84.67 178.35 7.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.9 p -129.23 -175.92 3.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.435 ' CG2' ' O ' ' A' ' 74' ' ' GLU . 69.1 t -57.44 -56.82 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.36 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.4 tp -50.66 -55.52 16.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -42.61 -58.97 2.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.747 ' CD1' HD11 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -40.24 -50.23 2.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.549 ' HG2' ' CZ3' ' A' ' 60' ' ' TRP . 1.5 mttp -59.82 -56.83 16.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -44.98 -48.5 11.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 39' ' ' ARG . . . -59.02 -67.13 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.248 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.924 HG12 HG21 ' A' ' 22' ' ' VAL . 78.5 mt -40.52 -30.16 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.422 ' N ' ' C ' ' A' ' 36' ' ' ALA . 3.0 mt-30 -74.64 -49.97 19.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.28 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.777 ' O ' HD23 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -64.84 -10.55 29.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 0.0 110.312 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.415 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 5.4 t80 -85.98 -39.64 16.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.444 ' O ' ' NE2' ' A' ' 45' ' ' GLN . 55.8 t -91.11 -37.67 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.5 tm0? -63.63 -69.47 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.778 ' C ' HD12 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -41.7 -38.89 1.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.462 ' N ' HD12 ' A' ' 43' ' ' LEU . 0.8 OUTLIER -53.21 -72.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.449 ' N ' ' CD ' ' A' ' 45' ' ' GLN . 1.3 mp0 -47.19 -37.96 11.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.266 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.456 ' CZ3' HG11 ' A' ' 59' ' ' VAL . 15.2 m95 -54.63 -45.08 73.69 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.2 m -40.29 -61.16 0.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.951 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -60.96 -50.9 71.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.456 HG11 ' CZ3' ' A' ' 56' ' ' TRP . 45.7 t -43.61 -62.03 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.549 ' CZ3' ' HG2' ' A' ' 34' ' ' LYS . 52.8 m95 -62.88 -36.38 83.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.045 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.74 45.98 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.52 HG22 ' CD2' ' A' ' 63' ' ' TYR . 3.5 m -162.64 -51.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.41 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.55 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 98.2 m-85 -114.88 145.18 42.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -114.41 179.21 4.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.576 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.565 HD13 HD12 ' A' ' 33' ' ' LEU . 67.5 mt -103.64 131.71 50.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.422 HG22 ' O ' ' A' ' 91' ' ' SER . 0.0 OUTLIER -112.59 163.47 14.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 110.36 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.561 ' HB2' HG22 ' A' ' 90' ' ' VAL . 6.6 t 177.19 145.39 0.1 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.132 . . . . 0.0 109.981 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 48.76 28.36 1.85 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 65.59 31.37 79.86 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 67' ' ' SER . 0.9 OUTLIER -128.44 141.26 51.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 0.754 . . . . 0.0 110.311 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -80.38 116.41 20.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.542 HD23 ' CE1' ' A' ' 82' ' ' TYR . 12.4 mt -81.85 86.36 6.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.7 p -107.54 -62.93 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.386 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.435 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -43.58 128.77 5.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.46 -42.15 8.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -61.5 -18.25 58.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 42.5 tttt -86.04 133.78 33.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.9 mttp -82.22 150.82 27.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 31.0 mt -57.84 -36.45 72.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.92 -48.71 80.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -63.38 -14.76 53.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.542 ' CE1' HD23 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -90.4 -8.67 50.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 110.986 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 97.17 -1.02 60.52 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.528 1.143 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.484 HD11 HD21 ' A' ' 72' ' ' LEU . 71.7 mt -81.89 160.99 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 0.739 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.427 ' N ' HG22 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -153.92 -174.93 5.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.287 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -72.86 137.5 45.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 76.51 38.76 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . 0.435 ' OD2' HG23 ' A' ' 90' ' ' VAL . 0.8 OUTLIER -101.99 -176.49 3.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -132.13 123.24 26.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.312 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.561 HG22 ' HB2' ' A' ' 67' ' ' SER . 2.6 t -117.79 160.24 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.436 ' N ' ' CG1' ' A' ' 90' ' ' VAL . 0.9 OUTLIER -138.59 166.17 25.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 109.998 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.536 ' CZ ' HD21 ' A' ' 65' ' ' LEU . 1.8 m-85 -106.06 123.22 47.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.1 tt -105.73 168.45 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 0.0 109.322 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.55 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 11.4 tttt -115.38 140.02 49.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.955 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.413 ' HA ' ' OD1' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -147.07 159.72 43.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 0.772 . . . . 0.0 110.973 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -111.58 98.1 7.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.377 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.568 HG11 HD21 ' A' ' 33' ' ' LEU . 77.5 t -88.73 115.77 29.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.424 ' HB3' HG11 ' A' ' 19' ' ' VAL . 75.7 mtt180 -84.47 128.51 34.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.44 HG21 ' CD1' ' A' ' 37' ' ' ILE . 2.9 t -97.77 125.18 51.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.239 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 14' ' ' LYS . 4.2 t -84.19 81.85 8.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 108.353 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.424 HG11 ' HB3' ' A' ' 11' ' ' ARG . 37.6 t . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 10.3 mtp -113.87 121.96 35.84 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 106.63 2.31 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.472 1.775 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.867 HG21 HG12 ' A' ' 37' ' ' ILE . 90.2 t -99.78 149.99 5.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.534 ' O ' HG13 ' A' ' 24' ' ' VAL . 13.6 p -119.36 146.78 23.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.534 HG13 ' O ' ' A' ' 23' ' ' VAL . 10.1 m -155.37 168.35 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.23 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.1 m -68.49 144.4 14.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.377 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -43.84 -26.36 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -128.33 64.66 1.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.41 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -91.38 177.19 6.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 43.5 p -130.88 -177.6 4.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.392 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.9 t -57.69 -44.05 84.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 31' ' ' LEU . 7.5 tp -56.95 -57.43 12.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.472 ' OD1' HG12 ' A' ' 24' ' ' VAL . 5.8 t70 -46.17 -57.7 4.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.568 HD21 HG11 ' A' ' 10' ' ' VAL . 0.4 OUTLIER -39.72 -66.33 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.559 ' HG2' ' CE3' ' A' ' 60' ' ' TRP . 0.4 OUTLIER -43.14 -59.2 2.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.36 -48.91 46.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.589 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -50.16 -70.35 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.867 HG12 HG21 ' A' ' 22' ' ' VAL . 72.6 mt -41.69 -31.39 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.52 ' OE1' ' CG ' ' A' ' 56' ' ' TRP . 2.4 mt-30 -76.53 -46.86 24.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.757 ' O ' HD23 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -66.8 -8.58 29.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.419 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 5.7 t80 -87.46 -37.18 17.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.955 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 50.4 t -93.65 -36.29 7.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -65.14 -69.58 0.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.778 ' C ' HD12 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -43.39 -42.5 4.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.48 ' N ' HD12 ' A' ' 43' ' ' LEU . 13.5 ttpp -53.4 -62.91 1.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -51.88 -53.2 43.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 110.296 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.644 ' O ' HG23 ' A' ' 59' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.52 ' CG ' ' OE1' ' A' ' 38' ' ' GLN . 71.0 m95 -59.55 -42.98 93.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 108.043 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.3 t -42.78 -59.29 2.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.062 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -62.89 -45.14 93.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 55' ' ' SER . 57.6 t -48.14 -61.52 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.57 ' HZ3' HD21 ' A' ' 65' ' ' LEU . 43.5 m95 -59.1 -25.01 63.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 108.001 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.38 30.45 1.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.265 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.7 m -146.63 -45.73 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.417 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.56 ' CE2' ' HB2' ' A' ' 94' ' ' LYS . 39.8 m-85 -110.18 156.26 20.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -120.38 172.89 7.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.605 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.57 HD21 ' HZ3' ' A' ' 60' ' ' TRP . 37.6 mt -115.0 117.68 31.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.84 160.58 21.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.415 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.0 t -138.2 -82.85 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.961 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -98.44 31.29 2.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 97.16 -19.46 54.68 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -78.12 100.61 6.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 0.751 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.932 ' HE3' HD13 ' A' ' 93' ' ' ILE . 7.6 mmtm -61.33 113.06 2.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.535 HD23 ' CE1' ' A' ' 82' ' ' TYR . 13.8 mt -74.71 91.15 2.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 70.7 p -120.59 1.35 10.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.419 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.423 ' CB ' ' HB3' ' A' ' 77' ' ' LYS . 0.4 OUTLIER -100.22 103.33 14.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.253 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -68.31 -30.49 69.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -76.51 -34.27 58.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.507 ' HD3' ' CE2' ' A' ' 82' ' ' TYR . 3.3 tttt -70.89 132.05 44.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -79.15 154.45 29.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 48.8 mt -60.1 -36.67 77.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.2 ttt180 -59.92 -38.26 81.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.253 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.94 -28.31 66.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.535 ' CE1' HD23 ' A' ' 72' ' ' LEU . 18.0 m-85 -89.03 -2.69 58.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 83.88 16.91 66.64 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.463 1.102 . . . . 0.0 111.03 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 82.3 mt -83.51 110.78 18.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 79.4 mmt-85 -104.94 -174.7 2.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.413 ' OD1' ' HA ' ' A' ' 8' ' ' MET . 7.0 t30 -70.36 154.97 41.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.98 31.26 20.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.32 162.66 13.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -121.74 115.12 22.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.284 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.2 t -99.93 149.95 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.3 163.59 14.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.998 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -112.12 164.84 12.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.932 HD13 ' HE3' ' A' ' 71' ' ' LYS . 10.2 tt -157.04 150.66 9.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.56 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 2.0 tmtt? -108.82 139.17 44.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.409 ' HA ' ' OD1' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -140.63 175.48 9.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 0.784 . . . . 0.0 110.976 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 m -117.03 99.39 7.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.385 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.823 HG11 HD21 ' A' ' 33' ' ' LEU . 61.1 t -92.59 136.96 23.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.8 mtt85 -103.79 159.86 15.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.5 t -125.83 119.37 54.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 15.0 t -104.35 91.51 3.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 108.335 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.8 mtmt . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.1 t . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.515 ' SD ' ' CE1' ' A' ' 40' ' ' TYR . 11.8 mtm -117.86 122.68 30.35 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 106.88 2.36 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.556 1.819 . . . . 0.0 110.977 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.945 HG21 HG12 ' A' ' 37' ' ' ILE . 50.3 t -104.12 148.2 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.605 ' O ' HG13 ' A' ' 24' ' ' VAL . 55.4 t -117.58 146.53 21.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 23' ' ' VAL . 19.8 m -158.21 163.43 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.456 HG23 ' C ' ' A' ' 27' ' ' ASN . 33.8 m -63.96 143.95 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -47.03 -24.24 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.456 ' C ' HG23 ' A' ' 25' ' ' VAL . 2.9 m120 -122.1 53.82 1.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.435 ' N ' HG23 ' A' ' 25' ' ' VAL . . . -82.54 175.55 10.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.1 p -129.7 179.15 5.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.439 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.499 HG21 ' O ' ' A' ' 74' ' ' GLU . 60.0 t -57.82 -40.47 76.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.468 ' HG ' ' CD ' ' A' ' 35' ' ' LYS . 6.5 tp -60.03 -55.59 32.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 33' ' ' LEU . 74.5 m-20 -48.33 -58.51 4.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.823 HD21 HG11 ' A' ' 10' ' ' VAL . 0.5 OUTLIER -39.7 -53.55 2.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -56.8 -65.75 0.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.244 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.468 ' CD ' ' HG ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -42.29 -42.54 3.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.713 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -59.47 -70.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.945 HG12 HG21 ' A' ' 22' ' ' VAL . 78.3 mt -45.09 -26.74 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -77.47 -52.33 9.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.445 1.09 . . . . 0.0 110.274 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -10.46 18.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.515 ' CE1' ' SD ' ' A' ' 20' ' ' MET . 5.8 t80 -79.9 -42.32 24.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.0 t -94.53 -48.31 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -45.85 -70.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mt -53.84 -54.07 43.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.405 ' CB ' ' O ' ' A' ' 40' ' ' TYR . 3.7 ttmt -43.8 -62.2 1.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -53.42 -40.72 65.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' TRP . . . . . 0.452 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 47.7 m95 -44.9 -46.38 10.88 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.6 m -49.4 -54.67 16.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.931 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -66.79 -40.19 88.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.0 t -51.76 -52.21 23.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.452 ' CD1' ' O ' ' A' ' 56' ' ' TRP . 72.3 m95 -65.73 -41.18 92.53 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -61.79 -18.02 58.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.1 m -102.64 -60.7 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.175 . . . . 0.0 110.431 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.556 ' CE1' ' HB2' ' A' ' 94' ' ' LYS . 96.4 m-85 -98.46 154.51 17.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.463 ' ND1' HG22 ' A' ' 73' ' ' THR . 54.2 m-70 -126.28 168.93 13.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.591 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.775 HD13 HD12 ' A' ' 33' ' ' LEU . 87.0 mt -97.12 115.29 27.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.591 ' O ' HG13 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -107.69 160.59 15.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.421 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 35.2 p -134.48 -53.59 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.977 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -164.54 67.18 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.43 -7.72 60.48 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.461 1.101 . . . . 0.0 110.958 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -103.49 106.02 16.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 0.783 . . . . 0.0 110.301 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -71.55 115.56 10.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.337 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.917 HD23 ' CD1' ' A' ' 82' ' ' TYR . 7.8 mt -79.58 79.51 6.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.463 HG22 ' ND1' ' A' ' 64' ' ' HIS . 61.3 p -109.86 -43.81 3.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.409 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.499 ' O ' HG21 ' A' ' 30' ' ' VAL . 0.2 OUTLIER -55.56 119.21 5.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.2 -34.79 21.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -70.31 -28.27 65.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.318 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -77.11 124.65 28.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.113 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -68.78 163.79 23.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 33.1 mt -68.44 -39.77 81.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.66 -28.32 60.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.343 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.22 -22.73 60.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.917 ' CD1' HD23 ' A' ' 72' ' ' LEU . 2.7 m-85 -95.6 18.9 11.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 61.08 27.87 67.98 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 34.1 mm -78.83 150.0 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 0.758 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -142.05 -178.43 5.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.409 ' OD1' ' HA ' ' A' ' 8' ' ' MET . 7.1 t30 -79.83 145.03 32.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 63.84 32.76 13.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -85.01 178.32 7.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -136.44 108.85 7.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.332 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.591 HG13 ' O ' ' A' ' 66' ' ' THR . 39.9 t -97.75 142.7 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.431 ' HB2' HG23 ' A' ' 66' ' ' THR . 0.1 OUTLIER -111.91 161.79 16.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.969 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.598 ' CZ ' HD21 ' A' ' 65' ' ' LEU . 0.3 OUTLIER -106.77 123.48 48.21 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.133 . . . . 0.0 110.999 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.7 tt -108.94 166.91 4.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.556 ' HB2' ' CE1' ' A' ' 63' ' ' TYR . 2.8 ttmt -115.9 139.99 49.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.7 m -148.11 121.1 8.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 110.019 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.2 p -102.78 109.53 21.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.037 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.88 -108.78 2.21 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.535 1.147 . . . . 0.0 110.956 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.4 m -119.41 108.59 14.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 0.767 . . . . 0.0 110.017 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.5 p -122.01 149.78 43.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.98 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.06 -159.28 22.25 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.2 ptm -154.67 157.31 37.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 0.763 . . . . 0.0 110.972 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 m -105.93 100.43 9.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 110.366 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.6 HG11 HD21 ' A' ' 33' ' ' LEU . 87.0 t -94.39 118.21 39.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -82.49 137.2 34.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.128 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.411 HG11 ' HE2' ' A' ' 92' ' ' PHE . 70.5 t -120.5 86.51 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.4 t -68.55 81.03 0.27 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 108.308 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -40.23 153.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.2 ptt? -47.04 -46.62 22.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.995 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.83 -56.09 20.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 158.35 -52.22 0.4 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -46.52 116.55 1.33 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 0.771 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.401 ' H ' HG12 ' A' ' 19' ' ' VAL . 2.2 p -91.02 145.89 6.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.1 mtp -121.34 124.01 27.45 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.967 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 108.83 2.81 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.507 1.793 . . . . 0.0 111.051 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.754 HG21 HG12 ' A' ' 37' ' ' ILE . 71.8 t -102.49 151.03 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.6 ' O ' HG13 ' A' ' 24' ' ' VAL . 14.7 p -114.88 144.98 21.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.6 HG13 ' O ' ' A' ' 23' ' ' VAL . 15.7 m -157.71 170.66 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.444 HG23 ' C ' ' A' ' 27' ' ' ASN . 32.3 m -70.69 155.93 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -20.4 21.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 110.273 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.444 ' C ' HG23 ' A' ' 25' ' ' VAL . 2.0 m120 -127.44 58.27 1.47 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.04 176.72 6.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.457 HG22 ' HA ' ' A' ' 78' ' ' LYS . 72.2 p -130.85 -177.82 4.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.15 . . . . 0.0 110.41 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.534 ' N ' HD21 ' A' ' 79' ' ' LEU . 83.7 t -61.13 -40.41 85.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.746 HD22 ' HE3' ' A' ' 35' ' ' LYS . 1.4 mt -58.51 -64.47 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.2 OUTLIER -40.64 -56.4 2.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.258 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.63 HD12 HD13 ' A' ' 65' ' ' LEU . 0.2 OUTLIER -39.87 -51.89 2.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.569 ' HG2' ' CE3' ' A' ' 60' ' ' TRP . 0.7 OUTLIER -58.15 -53.77 54.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.746 ' HE3' HD22 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -52.85 -47.48 67.73 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.52 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -56.94 -61.67 2.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.754 HG12 HG21 ' A' ' 22' ' ' VAL . 71.5 mt -41.68 -35.89 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.416 ' NE2' ' HE1' ' A' ' 60' ' ' TRP . 6.0 mt-30 -78.7 -42.34 28.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.747 ' O ' HD23 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -70.29 -6.37 34.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.338 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.44 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 4.0 t80 -87.49 -37.48 16.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.1 t -93.66 -34.64 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.331 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -67.36 -66.36 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.25 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.747 HD23 ' O ' ' A' ' 39' ' ' ARG . 0.2 OUTLIER -49.82 -43.17 48.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.097 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -55.08 -58.55 7.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -52.71 -50.16 63.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.01 -50.15 48.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.274 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -70.7 -18.37 62.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -105.83 16.24 25.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.312 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 53.84 70.13 1.03 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -146.3 146.0 15.56 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.1 t -101.79 136.5 33.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 0.752 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -52.96 143.35 17.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 110.305 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -152.8 31.01 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.571 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 36.0 mt -124.76 121.48 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.45 ' O ' HG23 ' A' ' 59' ' ' VAL . 0.5 OUTLIER -74.17 78.96 1.77 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.025 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.5 ' HB3' ' CD1' ' A' ' 60' ' ' TRP . 90.2 m95 -61.96 -27.71 69.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 108.034 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.8 m -52.67 -60.43 3.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.022 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -66.08 -47.31 74.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 55' ' ' SER . 55.7 t -46.98 -59.05 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.569 ' CE3' ' HG2' ' A' ' 34' ' ' LYS . 50.7 m95 -62.32 -37.49 85.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 107.985 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.65 39.99 0.97 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.308 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 33.0 m -155.35 -45.69 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.391 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.535 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 98.7 m-85 -118.86 159.86 22.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -124.31 -178.99 4.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.632 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.63 HD13 HD12 ' A' ' 33' ' ' LEU . 58.0 mt -108.01 123.08 48.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.584 HG21 ' HB ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -119.99 160.9 21.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.407 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.519 ' HB2' HG22 ' A' ' 90' ' ' VAL . 3.9 t -133.17 -62.52 0.79 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.98 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -161.26 69.86 0.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.11 -29.91 5.78 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -79.19 107.64 12.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.438 ' HE2' HD13 ' A' ' 93' ' ' ILE . 14.0 mttt -78.76 113.81 17.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.64 HD21 HD11 ' A' ' 84' ' ' ILE . 10.2 mt -80.45 83.96 6.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.36 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 72.6 p -109.57 -54.75 2.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.422 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.51 127.5 29.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.452 ' HB3' HD12 ' A' ' 31' ' ' LEU . 8.5 m-20 -94.91 -28.02 15.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.81 -2.59 37.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.332 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -105.87 121.66 44.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.457 ' HA ' HG22 ' A' ' 29' ' ' THR . 3.4 mttp -63.56 148.12 49.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.534 HD21 ' N ' ' A' ' 30' ' ' VAL . 34.7 mt -62.58 -39.64 94.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 1.159 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.52 -21.75 11.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.298 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.81 -28.8 27.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -77.6 -12.95 60.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 101.35 9.64 43.84 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.64 HD11 HD21 ' A' ' 72' ' ' LEU . 48.8 mt -92.79 125.33 45.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 -122.89 -175.15 3.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.412 ' OD1' ' C ' ' A' ' 86' ' ' ASN . 4.6 t-20 -63.06 140.95 58.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 20.4 mtt180 63.74 57.56 1.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.406 ' OD2' HG23 ' A' ' 84' ' ' ILE . 19.1 t70 -115.37 169.44 9.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -117.55 109.67 16.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 110.302 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.519 HG22 ' HB2' ' A' ' 67' ' ' SER . 6.5 t -118.05 148.45 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -136.22 168.15 19.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 110.008 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.465 ' CZ ' HD21 ' A' ' 65' ' ' LEU . 4.8 m-85 -91.17 163.1 14.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.584 ' HB ' HG21 ' A' ' 66' ' ' THR . 15.6 tt -142.51 158.61 19.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.535 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 1.0 OUTLIER -110.1 129.59 55.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -46.22 166.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.6 103.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -130.47 -151.27 7.09 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.547 1.154 . . . . 0.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.1 mp0 -142.01 -60.05 0.46 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 0.729 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.46 176.77 6.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.3 t -149.97 149.82 30.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.971 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -76.99 113.94 3.91 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 173.68 14.1 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.529 1.805 . . . . 0.0 111.005 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 20.9 m -135.39 -58.55 0.78 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.02 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 83.9 p -116.79 146.74 42.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.016 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.498 1.124 . . . . 0.0 110.966 180.0 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 t -121.45 111.41 17.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 0.741 . . . . 0.0 109.99 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -134.46 166.06 23.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.992 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 116.1 175.55 17.97 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -162.48 92.55 0.81 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 0.768 . . . . 0.0 109.965 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.99 94.3 0.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.99 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.86 -165.96 34.31 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.546 ' CG ' HG23 ' A' ' 24' ' ' VAL . 1.2 ptm -151.75 155.34 38.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.761 . . . . 0.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.8 m -102.54 102.19 12.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 110.421 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.766 HG11 HD21 ' A' ' 33' ' ' LEU . 87.2 t -98.19 120.94 48.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 37.9 mtt-85 -89.03 145.55 25.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.55 HG21 ' CD1' ' A' ' 37' ' ' ILE . 47.3 t -114.66 138.52 44.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.9 t -104.31 85.42 2.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 108.3 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.4 mtmt -56.3 159.67 3.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.3 ptp -57.43 -40.68 78.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 111.054 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -63.77 -54.2 39.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 152.12 -45.25 0.61 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -40.72 141.42 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 0.74 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.7 t -108.25 157.47 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.8 mtp -139.28 122.52 10.7 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.987 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 108.69 2.77 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.506 1.793 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.917 HG21 HG12 ' A' ' 37' ' ' ILE . 96.0 t -102.68 150.53 6.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.484 1.115 . . . . 0.0 109.259 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.664 ' O ' HG13 ' A' ' 24' ' ' VAL . 12.3 p -115.39 148.87 17.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.664 HG13 ' O ' ' A' ' 23' ' ' VAL . 4.7 m -159.04 170.68 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.478 HG23 ' N ' ' A' ' 28' ' ' ALA . 24.0 m -76.17 143.54 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -40.91 -40.94 1.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.334 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -109.39 49.88 0.81 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.478 ' N ' HG23 ' A' ' 25' ' ' VAL . . . -74.29 176.27 6.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.539 ' C ' HD21 ' A' ' 79' ' ' LEU . 30.8 p -131.04 -175.61 3.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.394 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 74' ' ' GLU . 91.6 t -61.56 -49.58 83.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.349 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.68 HD22 ' HE2' ' A' ' 35' ' ' LYS . 0.7 OUTLIER -52.76 -55.49 22.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.27 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.436 ' OD2' HG12 ' A' ' 24' ' ' VAL . 5.5 t70 -43.83 -53.66 5.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.766 HD21 HG11 ' A' ' 10' ' ' VAL . 0.4 OUTLIER -39.03 -71.4 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.835 ' HG3' HD21 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -45.81 -58.09 3.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.68 ' HE2' HD22 ' A' ' 31' ' ' LEU . 60.4 mttm -44.1 -50.38 8.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.486 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -56.64 -67.25 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.265 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.917 HG12 HG21 ' A' ' 22' ' ' VAL . 96.1 mt -39.87 -32.03 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.421 ' OE1' ' NE1' ' A' ' 60' ' ' TRP . 3.9 mt-30 -76.21 -49.37 17.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.704 ' O ' HD23 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -66.16 -9.04 27.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.333 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -85.54 -36.53 20.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.4 t -93.75 -35.17 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.8 tm0? -67.33 -67.3 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.301 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.722 ' C ' HD12 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -48.55 -44.95 36.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.0 tttt -54.24 -66.88 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 49' ' ' GLY . 45.2 mt-30 -48.31 -53.57 16.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.298 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -46.78 -50.85 17.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -72.35 -21.52 61.3 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -103.08 20.95 16.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 110.283 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 45' ' ' GLN . . . 127.22 -65.95 0.57 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.13 152.91 26.91 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.507 HG22 ' H ' ' A' ' 52' ' ' GLN . 0.6 OUTLIER -165.89 -178.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.518 0.775 . . . . 0.0 109.312 179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.507 ' H ' HG22 ' A' ' 51' ' ' VAL . 43.1 mm-40 -62.6 157.59 20.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 110.304 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.06 170.58 0.64 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.573 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.693 ' O ' HG22 ' A' ' 54' ' ' ILE . 35.7 mt -119.31 46.36 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 70.0 m 43.11 57.9 3.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.038 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -66.76 -47.53 71.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 108.014 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 61' ' ' ARG . 3.0 m -39.46 -60.89 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.007 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -54.54 -49.22 70.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 111.04 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 24.4 t -50.59 -51.99 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.538 ' CE3' ' HG2' ' A' ' 34' ' ' LYS . 45.4 m95 -69.74 -27.39 64.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 108.037 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 57' ' ' SER . 0.1 OUTLIER -90.69 36.18 0.9 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.578 1.174 . . . . 0.0 110.295 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.5 HG22 ' CD2' ' A' ' 63' ' ' TYR . 1.9 m -157.94 -44.81 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.501 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 97.9 m-85 -118.81 161.23 20.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.404 ' C ' HD13 ' A' ' 65' ' ' LEU . 93.2 m-70 -141.69 167.03 23.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.612 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.835 HD21 ' HG3' ' A' ' 34' ' ' LYS . 0.1 OUTLIER -89.05 122.66 32.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.421 ' OG1' ' N ' ' A' ' 67' ' ' SER . 2.7 t -105.76 175.39 5.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.355 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.421 ' N ' ' OG1' ' A' ' 66' ' ' THR . 4.8 t 166.04 150.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 109.977 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 43.5 45.42 5.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 46.99 41.91 14.8 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -136.42 136.25 39.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 0.746 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -85.77 119.05 25.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.45 HD12 ' O ' ' A' ' 65' ' ' LEU . 6.0 mt -89.78 88.33 7.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 70.4 p -111.12 -36.02 5.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.409 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.494 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.2 OUTLIER -65.04 122.87 18.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.301 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.92 -35.03 26.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -69.4 -34.17 74.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.343 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.446 ' HG2' ' CE2' ' A' ' 82' ' ' TYR . 17.4 tttt -69.48 129.07 38.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -76.17 155.57 34.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.539 HD21 ' C ' ' A' ' 29' ' ' THR . 21.3 mt -67.66 -45.24 75.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -57.29 -17.43 11.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.27 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.48 -10.41 54.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.446 ' CE2' ' HG2' ' A' ' 77' ' ' LYS . 1.9 m-85 -102.87 -1.93 28.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.937 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 90.93 17.79 50.0 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.531 1.144 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 21.7 mt -98.05 107.36 20.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 0.739 . . . . 0.0 109.278 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -99.96 -174.75 2.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.355 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -74.22 148.97 41.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.3 mtm-85 65.74 31.22 9.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.314 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -100.1 158.86 15.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -106.01 122.71 46.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.27 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.6 t -111.66 157.49 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.17 166.9 18.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.012 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.521 ' CE1' ' CD1' ' A' ' 65' ' ' LEU . 0.7 OUTLIER -106.3 127.03 52.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.993 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' A' ' 63' ' ' TYR . 1.3 tt -111.9 167.61 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.501 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 10.2 tttt -118.83 133.47 55.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.1 mtmt -48.96 169.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.8 tt -62.93 115.24 4.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -144.91 -152.96 5.73 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.467 1.105 . . . . 0.0 110.943 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.442 ' O ' ' CB ' ' A' ' 99' ' ' LYS . 3.6 tt0 -120.82 132.96 55.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.477 0.751 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.442 ' CB ' ' O ' ' A' ' 98' ' ' GLN . 8.3 tttm 83.91 80.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.27 152.65 24.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 110.009 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -67.62 148.09 49.21 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.527 1.142 . . . . 0.0 110.994 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 93.11 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.517 1.798 . . . . 0.0 111.035 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.62 -62.19 1.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.075 . . . . 0.0 110.056 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.8 t 63.95 112.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.027 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.511 1.132 . . . . 0.0 111.039 179.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.969 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.3 p -159.41 147.18 17.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 0.741 . . . . 0.0 109.988 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 59.48 170.1 0.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.95 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.15 131.06 0.02 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.494 1.122 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.0 p -107.98 79.06 1.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 109.999 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.87 94.45 5.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.986 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.16 -174.3 46.3 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.464 1.102 . . . . 0.0 111.027 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.54 169.98 19.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 110.956 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -118.87 95.91 5.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.415 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.625 HG11 HD21 ' A' ' 33' ' ' LEU . 88.1 t -88.23 112.53 23.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.568 1.168 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.0 mtt-85 -81.48 133.46 35.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 110.3 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.81 HG21 HD11 ' A' ' 37' ' ' ILE . 5.0 t -116.59 91.83 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 14' ' ' LYS . 28.6 t -74.23 84.76 1.89 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 108.286 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 13' ' ' CYS . 52.3 mtmt -39.16 153.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 9.8 ptp -48.96 -50.95 33.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 54.2 p-10 -141.76 51.18 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -143.62 -172.21 14.32 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -88.38 118.02 27.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 0.746 . . . . 0.0 110.263 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 2.4 p -41.32 137.02 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.6 mtm -116.91 122.93 30.79 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.406 ' O ' ' CE2' ' A' ' 40' ' ' TYR . 18.2 Cg_endo -74.95 108.48 2.73 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.562 1.822 . . . . 0.0 111.043 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.93 HG21 HG12 ' A' ' 37' ' ' ILE . 47.2 t -102.4 146.18 10.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 68.8 t -114.09 145.39 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 109.263 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.43 ' HB ' ' CB ' ' A' ' 28' ' ' ALA . 4.2 m -150.54 175.35 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.438 HG22 ' HB2' ' A' ' 28' ' ' ALA . 25.1 m -72.09 145.63 12.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.6 -25.89 0.32 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.434 ' C ' HG23 ' A' ' 25' ' ' VAL . 7.6 m120 -128.35 65.54 1.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.344 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.438 ' HB2' HG22 ' A' ' 25' ' ' VAL . . . -94.57 177.96 5.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.229 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.451 ' C ' HD21 ' A' ' 79' ' ' LEU . 15.2 p -129.59 -175.53 3.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.433 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.501 HG21 ' O ' ' A' ' 74' ' ' GLU . 91.2 t -58.17 -63.06 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.0 tp -42.98 -58.29 2.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.406 ' O ' ' C ' ' A' ' 33' ' ' LEU . 19.2 t0 -42.08 -57.59 2.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.908 HD12 HD13 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -40.13 -59.03 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.556 ' HG2' ' CE3' ' A' ' 60' ' ' TRP . 0.8 OUTLIER -51.94 -57.74 8.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.113 . . . . 0.0 109.27 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.9 mttm -42.67 -48.27 5.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.512 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -58.04 -65.97 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.93 HG12 HG21 ' A' ' 22' ' ' VAL . 77.5 mt -39.43 -35.77 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.41 ' OE1' ' NE1' ' A' ' 60' ' ' TRP . 3.8 mt-30 -76.15 -49.9 16.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.714 ' O ' HD23 ' A' ' 43' ' ' LEU . 2.5 mtt180 -69.2 -6.86 31.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.112 . . . . 0.0 110.274 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.445 ' N ' ' O ' ' A' ' 36' ' ' ALA . 62.2 t80 -83.51 -45.15 13.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 89.8 t -87.04 -43.57 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -67.61 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.732 ' C ' HD12 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -48.7 -42.73 35.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.09 . . . . 0.0 109.267 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -49.68 -71.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 48' ' ' GLU . 30.6 mt-30 -48.05 -52.78 18.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.288 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.06 -58.39 2.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.319 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -57.14 -24.29 53.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.358 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.437 ' N ' ' O ' ' A' ' 45' ' ' GLN . 18.3 mt-10 -100.88 15.32 28.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.291 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 110.26 -54.38 0.55 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.126 . . . . 0.0 111.044 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.21 -175.29 19.61 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.49 HG22 ' H ' ' A' ' 52' ' ' GLN . 0.5 OUTLIER -171.96 -178.79 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.499 0.764 . . . . 0.0 109.326 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.49 ' H ' HG22 ' A' ' 51' ' ' VAL . 3.9 mt-30 -50.69 149.72 3.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -91.37 149.21 21.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.608 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 24.3 mt -116.86 146.0 21.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.34 70.1 1.66 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 110.021 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 67.6 m95 -52.99 -50.57 63.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 108.02 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 61' ' ' ARG . 10.4 t -39.66 -57.84 1.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 110.03 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -61.05 -48.55 81.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.8 t -51.88 -39.91 26.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.556 ' CE3' ' HG2' ' A' ' 34' ' ' LYS . 68.3 m95 -81.31 -30.09 34.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 108.022 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 57' ' ' SER . 0.0 OUTLIER -90.3 36.82 0.88 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.1 m -161.47 -44.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.362 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.506 ' CE2' ' HG3' ' A' ' 94' ' ' LYS . 84.6 m-85 -110.41 140.96 44.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -116.2 163.43 15.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.612 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.908 HD13 HD12 ' A' ' 33' ' ' LEU . 35.1 mt -94.08 121.92 36.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.524 HG21 ' HB ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -108.91 160.42 16.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.392 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.1 t -135.9 -87.91 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -93.33 -85.6 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.432 1.082 . . . . 0.0 109.328 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -134.65 24.58 3.49 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -126.78 152.19 47.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 0.778 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.485 ' HE3' HD13 ' A' ' 93' ' ' ILE . 5.0 mttp -101.82 112.75 25.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.673 HD21 HD11 ' A' ' 84' ' ' ILE . 14.8 mt -68.33 86.89 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 46.7 p -111.06 -64.47 1.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.409 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.501 ' O ' HG21 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -44.46 137.28 3.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.264 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -99.01 -47.64 5.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -56.86 -20.48 23.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.2 tttt -84.58 132.45 34.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.67 154.12 30.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.451 HD21 ' C ' ' A' ' 29' ' ' THR . 34.7 mt -62.27 -37.32 85.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.492 ' CZ ' ' OD1' ' A' ' 81' ' ' ASP . 0.4 OUTLIER -60.57 -31.26 70.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 110.323 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.492 ' OD1' ' CZ ' ' A' ' 80' ' ' ARG . 2.7 m-20 -74.61 -17.19 60.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.521 ' CD1' HD23 ' A' ' 72' ' ' LEU . 1.2 m-85 -91.49 -3.15 56.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.953 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 93.3 6.13 63.13 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.512 1.133 . . . . 0.0 110.996 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.673 HD11 HD21 ' A' ' 72' ' ' LEU . 68.1 mt -85.91 154.54 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 0.745 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.474 ' N ' ' CD ' ' A' ' 85' ' ' ARG . 0.0 OUTLIER -148.15 -174.3 4.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.4 t30 -66.87 144.48 56.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 57.55 61.01 2.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -115.27 172.6 6.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -118.91 109.2 15.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.334 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.433 HG13 ' O ' ' A' ' 66' ' ' THR . 6.6 t -111.88 148.22 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.95 165.14 22.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.0 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.488 ' CZ ' HD21 ' A' ' 65' ' ' LEU . 0.5 OUTLIER -96.67 149.66 21.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 111.0 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.524 ' HB ' HG21 ' A' ' 66' ' ' THR . 16.1 tt -142.41 161.98 19.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.506 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 0.5 OUTLIER -118.39 149.75 40.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -63.77 -179.12 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.47 166.53 14.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -142.22 165.96 26.52 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.539 1.149 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -133.94 -60.73 0.81 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.561 0.8 . . . . 0.0 110.317 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -171.45 108.49 0.27 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -133.33 168.25 18.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.571 1.169 . . . . 0.0 109.993 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -52.98 157.33 4.45 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.467 1.105 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 176.35 10.02 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.782 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.9 m 57.7 164.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 110.01 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.0 t -175.44 90.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.021 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 110.977 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t -42.2 105.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 0.78 . . . . 0.0 110.031 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 56.97 103.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.117 . . . . 0.0 110.007 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.99 155.17 12.01 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.491 1.119 . . . . 0.0 111.009 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.1 p -139.02 -59.76 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 0.756 . . . . 0.0 109.997 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.21 160.48 15.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.961 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.02 -161.61 12.66 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.0 -179.47 6.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 0.794 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -124.46 98.14 5.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.405 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.762 HG11 HD21 ' A' ' 33' ' ' LEU . 93.7 t -92.65 106.52 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.425 ' HB3' HG21 ' A' ' 19' ' ' VAL . 8.3 mtt180 -78.17 119.8 22.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.713 HG21 HD11 ' A' ' 37' ' ' ILE . 17.6 t -99.33 95.73 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.122 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 51.3 t -77.48 83.52 3.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 108.315 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -40.56 156.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.251 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.556 ' SD ' ' CE2' ' A' ' 63' ' ' TYR . 1.2 ptp -55.01 -37.75 67.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 111.012 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.46 -57.86 11.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 162.76 -56.7 0.29 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -46.86 124.26 6.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 0.77 . . . . 0.0 110.297 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.425 HG21 ' HB3' ' A' ' 11' ' ' ARG . 1.9 p -99.86 148.61 6.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.487 ' HB3' ' HE3' ' A' ' 20' ' ' MET . 6.5 mtp -124.25 123.75 25.92 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 111.06 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 108.48 2.72 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.782 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.763 HG21 HG12 ' A' ' 37' ' ' ILE . 63.3 t -104.35 150.2 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.153 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.471 ' O ' HG13 ' A' ' 24' ' ' VAL . 41.9 t -114.07 145.64 19.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 23' ' ' VAL . 15.3 m -153.94 168.68 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.46 HG23 ' N ' ' A' ' 28' ' ' ALA . 13.5 m -61.53 159.34 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.337 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -57.19 -16.96 9.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 110.333 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -141.51 65.47 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.465 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -87.36 179.42 6.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 19.3 p -131.05 -177.46 4.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.412 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.421 ' CG2' ' O ' ' A' ' 74' ' ' GLU . 70.3 t -58.32 -44.9 89.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 31' ' ' LEU . 7.6 tp -57.41 -59.62 4.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -44.65 -57.02 3.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.762 HD21 HG11 ' A' ' 10' ' ' VAL . 0.4 OUTLIER -40.6 -59.2 1.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 109.268 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.661 ' HG3' HD11 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -49.82 -60.2 3.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.24 -51.14 14.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.612 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -50.44 -65.63 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.763 HG12 HG21 ' A' ' 22' ' ' VAL . 74.4 mt -40.19 -33.08 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.342 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.404 ' N ' ' C ' ' A' ' 36' ' ' ALA . 2.5 mt-30 -78.84 -53.11 7.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -8.86 22.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.617 ' HD2' HG23 ' A' ' 41' ' ' VAL . 43.0 t80 -79.9 -42.6 23.81 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.617 HG23 ' HD2' ' A' ' 40' ' ' TYR . 82.6 t -94.83 -50.62 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -42.9 -70.77 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.34 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 mt -50.14 -34.21 21.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.04 -66.25 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.147 . . . . 0.0 109.34 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.443 ' O ' ' N ' ' A' ' 49' ' ' GLY . 30.2 mt-30 -52.97 -43.02 66.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.296 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -55.48 18.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.81 -14.06 62.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -111.31 17.79 19.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 45' ' ' GLN . . . 52.85 77.37 0.14 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.469 1.106 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -149.79 97.44 0.18 Allowed Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 28.0 m -55.24 141.97 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.54 0.788 . . . . 0.0 109.307 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -48.81 147.12 2.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.103 . . . . 0.0 110.322 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -167.52 45.94 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.618 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 13.9 mt -141.41 119.96 9.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.52 68.54 2.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.973 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.56 ' HB3' ' CD1' ' A' ' 60' ' ' TRP . 75.2 m95 -53.26 -34.94 59.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 108.02 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.437 ' O ' ' CB ' ' A' ' 61' ' ' ARG . 16.7 m -49.63 -58.53 5.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -61.15 -53.36 57.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 73.5 t -47.69 -58.47 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.56 ' CD1' ' HB3' ' A' ' 56' ' ' TRP . 44.0 m95 -63.17 -38.32 90.69 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.437 ' CB ' ' O ' ' A' ' 57' ' ' SER . 0.3 OUTLIER -88.65 41.55 1.03 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 110.284 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.514 HG22 ' CD1' ' A' ' 63' ' ' TYR . 17.5 m -158.36 -45.21 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 110.404 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.556 ' CE2' ' SD ' ' A' ' 15' ' ' MET . 83.3 m-85 -121.61 161.47 22.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -130.97 176.57 8.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.613 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.713 HD13 HD12 ' A' ' 33' ' ' LEU . 4.5 mt -104.52 131.61 51.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 67' ' ' SER . 1.6 t -108.3 174.85 5.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.375 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.52 ' HB3' HD11 ' A' ' 72' ' ' LEU . 1.0 OUTLIER -179.23 132.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.047 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 67' ' ' SER . . . 69.52 -64.56 0.34 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.13 . . . . 0.0 109.253 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 67' ' ' SER . . . 170.74 39.43 0.03 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.453 1.096 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -146.16 159.98 42.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 0.787 . . . . 0.0 110.299 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -90.27 118.89 30.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.687 HD23 ' CE1' ' A' ' 82' ' ' TYR . 15.0 mt -80.87 79.17 7.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.8 p -105.57 -19.76 13.68 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 110.366 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.421 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.5 OUTLIER -76.38 115.05 15.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.03 -33.8 33.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.5 mmt180 -75.58 -18.06 59.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.293 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.4 ' CB ' ' HB3' ' A' ' 74' ' ' GLU . 2.4 tttt -85.21 122.39 29.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.23 159.72 30.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 95.3 mt -65.83 -41.61 91.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.53 -23.6 58.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 110.339 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -72.42 -17.4 61.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.687 ' CE1' HD23 ' A' ' 72' ' ' LEU . 14.9 m-85 -102.55 12.36 36.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 111.056 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 77.68 24.27 65.35 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.515 1.134 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 33.3 mt -95.95 128.16 47.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 0.779 . . . . 0.0 109.253 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -126.09 -175.38 3.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -63.29 135.56 57.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 63.13 69.74 0.57 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.155 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.29 165.38 17.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -112.6 113.63 25.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.319 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.4 t -111.84 151.98 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.21 167.26 17.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 110.025 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.6 ' CZ ' HD21 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -102.88 130.53 49.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.978 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.5 tt -110.31 169.18 3.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.425 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 11.8 tttt -115.15 149.43 37.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.401 ' N ' ' HG2' ' A' ' 94' ' ' LYS . 5.6 mtpt -60.48 172.77 0.81 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.13 85.86 5.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.36 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 63.83 91.06 0.03 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.544 1.152 . . . . 0.0 111.001 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -163.72 120.28 1.72 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 0.754 . . . . 0.0 110.256 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -165.35 128.68 2.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 109.291 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.2 p 179.08 120.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 110.03 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 129.77 141.42 5.01 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -178.65 4.32 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.48 1.779 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 84.2 p -146.7 129.71 16.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.975 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.03 133.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.006 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 t -83.27 153.99 24.38 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.443 0.731 . . . . 0.0 109.984 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.8 p -167.45 149.06 5.67 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 110.029 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.38 -129.83 0.11 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.466 1.103 . . . . 0.0 110.994 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.79 117.94 1.28 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 0.777 . . . . 0.0 109.956 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.9 t -171.77 100.12 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.014 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.76 -144.2 5.94 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.426 ' CB ' ' HA ' ' A' ' 86' ' ' ASN . 1.5 ptm -149.2 171.9 15.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 0.769 . . . . 0.0 110.977 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -124.48 103.41 8.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.394 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.768 HG11 HD21 ' A' ' 33' ' ' LEU . 88.1 t -98.19 98.49 7.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 29.7 mtt180 -71.83 112.04 7.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 110.278 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.563 HG21 ' CD1' ' A' ' 37' ' ' ILE . 0.3 OUTLIER -90.77 114.1 27.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.0 m -89.61 88.72 7.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 108.319 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -41.03 151.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -46.29 -52.14 13.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -142.38 50.87 1.48 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -143.08 -178.48 18.97 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.494 1.122 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 19' ' ' VAL . 2.0 tt0 -79.53 117.01 20.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 0.729 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.43 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.2 OUTLIER -39.5 147.04 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.461 ' HE1' ' CG2' ' A' ' 41' ' ' VAL . 3.6 mtp -128.84 125.62 23.01 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 109.55 2.95 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.484 1.781 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.86 HG21 HG12 ' A' ' 37' ' ' ILE . 57.6 t -101.91 151.92 5.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.464 ' O ' HG13 ' A' ' 24' ' ' VAL . 12.6 p -119.22 146.35 24.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.487 ' HB ' ' HB2' ' A' ' 28' ' ' ALA . 11.3 m -153.68 -179.53 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.471 HG23 ' C ' ' A' ' 27' ' ' ASN . 34.8 m -76.33 156.23 5.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -19.09 4.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.471 ' C ' HG23 ' A' ' 25' ' ' VAL . 41.1 p-10 -132.23 61.36 1.66 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.487 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . . . -87.97 170.09 11.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 29.8 p -131.08 170.31 14.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 0.0 110.391 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.515 HG21 ' O ' ' A' ' 74' ' ' GLU . 55.0 t -44.94 -42.6 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 31' ' ' LEU . 13.9 tp -58.44 -64.55 0.88 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 33' ' ' LEU . 5.8 t70 -41.26 -54.55 2.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.768 HD21 HG11 ' A' ' 10' ' ' VAL . 0.4 OUTLIER -40.2 -62.77 0.7 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.316 179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.84 -56.17 15.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -46.64 -45.75 19.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.537 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -58.6 -69.08 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.86 HG12 HG21 ' A' ' 22' ' ' VAL . 42.4 mt -40.88 -32.14 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -75.6 -56.84 4.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -66.15 -8.15 22.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.43 ' N ' ' O ' ' A' ' 36' ' ' ALA . 35.6 t80 -83.6 -40.53 18.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 111.04 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.461 ' CG2' ' HE1' ' A' ' 20' ' ' MET . 65.8 t -94.72 -44.96 13.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -50.84 -70.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 43' ' ' LEU . 3.9 mt -52.0 -59.92 3.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 43' ' ' LEU . 1.5 ttpt -40.14 -58.48 1.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.264 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 49' ' ' GLY . 75.6 mt-30 -57.31 -47.79 80.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.74 -51.67 9.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.309 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -24.28 63.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 45' ' ' GLN . 23.4 mt-10 -102.05 20.76 15.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.319 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 45' ' ' GLN . . . 40.54 85.76 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.5 1.125 . . . . 0.0 110.954 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -117.07 -159.95 11.66 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 4.2 p -85.37 130.61 35.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.307 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.401 ' CD ' ' O ' ' A' ' 52' ' ' GLN . 2.5 pp0? -55.05 104.55 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 14.8 m80 58.29 159.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.539 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.619 ' O ' HG22 ' A' ' 54' ' ' ILE . 73.6 mt -131.64 55.92 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.247 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.5 ' O ' HG23 ' A' ' 59' ' ' VAL . 27.9 p 39.55 58.99 1.9 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.002 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 77.5 m95 -66.97 -39.67 87.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 108.003 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.6 m -44.21 -60.42 1.91 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.965 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.421 ' O ' ' N ' ' A' ' 61' ' ' ARG . 36.2 t80 -60.91 -51.6 68.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 111.009 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 55' ' ' SER . 48.4 t -45.14 -51.92 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 59.3 m95 -70.3 -30.22 67.16 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 107.975 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.421 ' N ' ' O ' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -91.01 38.83 0.97 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 110.27 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 89.1 m -154.93 -44.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.424 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.448 ' CE1' ' HB2' ' A' ' 94' ' ' LYS . 96.4 m-85 -121.44 149.91 42.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.976 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.41 ' O ' HG22 ' A' ' 93' ' ' ILE . 84.5 m-70 -118.79 165.29 14.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.605 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.716 HD13 HD12 ' A' ' 33' ' ' LEU . 54.3 mt -94.04 137.99 32.62 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.435 ' OG1' ' N ' ' A' ' 67' ' ' SER . 3.6 t -129.59 178.06 6.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.383 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.626 ' HB2' HG22 ' A' ' 90' ' ' VAL . 1.5 t 175.08 137.33 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 109.949 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 67' ' ' SER . . . 69.5 -64.55 0.34 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.341 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 67' ' ' SER . . . 167.81 40.5 0.02 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -146.5 140.67 26.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 0.752 . . . . 0.0 110.287 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.5 mttt -79.04 118.51 21.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.578 HD23 ' CE1' ' A' ' 82' ' ' TYR . 2.1 mt -89.33 84.04 6.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 66.6 p -104.6 -37.95 6.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.379 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.515 ' O ' HG21 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -57.77 130.78 48.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 110.25 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.54 -39.03 9.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 6.7 mmt85 -66.17 -17.45 64.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 110.34 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -86.05 141.47 29.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.19 151.79 22.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.475 HD21 ' HA ' ' A' ' 30' ' ' VAL . 26.9 mt -64.53 -39.35 93.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.253 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.27 -17.5 53.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 110.274 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.12 -10.62 43.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.578 ' CE1' HD23 ' A' ' 72' ' ' LEU . 1.0 OUTLIER -101.21 -1.72 33.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 111.043 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 100.64 -9.96 58.96 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.506 1.129 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 49.8 mt -79.68 116.28 23.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 0.769 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 30.6 mmm-85 -118.1 -174.69 2.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.323 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.426 ' HA ' ' CB ' ' A' ' 8' ' ' MET . 4.2 t30 -55.09 137.48 46.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 62.28 60.24 1.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.14 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.57 -176.53 3.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -135.54 140.51 44.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 110.293 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.626 HG22 ' HB2' ' A' ' 67' ' ' SER . 2.2 t -134.21 152.41 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.35 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.01 168.12 13.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.989 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.506 ' CZ ' HD21 ' A' ' 65' ' ' LEU . 5.6 m-85 -104.86 135.46 46.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.139 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.41 HG22 ' O ' ' A' ' 64' ' ' HIS . 1.1 tt -119.39 167.4 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.448 ' HB2' ' CE1' ' A' ' 63' ' ' TYR . 12.7 ttmt -114.06 149.9 34.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.401 ' N ' ' HG2' ' A' ' 94' ' ' LYS . 17.1 mttt -57.15 165.49 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.71 124.09 22.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -69.57 162.65 52.08 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.557 1.161 . . . . 0.0 110.978 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -159.56 167.76 27.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 110.329 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.91 145.94 46.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 54.22 95.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.025 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -160.4 66.87 0.26 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 145.08 31.08 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.455 1.766 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 97.4 p -147.43 148.62 31.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.037 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.2 m -151.78 159.54 43.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.971 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 179.975 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.96 170.42 12.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 0.776 . . . . 0.0 110.02 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 p -52.88 130.05 32.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.992 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.41 145.61 4.31 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.4 m -141.59 82.42 1.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.771 . . . . 0.0 110.033 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -156.03 109.89 2.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.996 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.12 -160.52 24.15 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.493 1.121 . . . . 0.0 110.952 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.467 ' SD ' ' CG2' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -139.87 173.71 11.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 0.751 . . . . 0.0 111.024 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -123.97 105.6 9.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.425 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.71 HG11 HD21 ' A' ' 33' ' ' LEU . 60.1 t -101.53 124.79 55.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.454 ' HB3' HG13 ' A' ' 19' ' ' VAL . 0.2 OUTLIER -96.4 139.11 33.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.488 HG21 ' CD1' ' A' ' 37' ' ' ILE . 3.0 t -101.3 123.28 54.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.262 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 t -89.54 83.39 6.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 108.317 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.5 -80.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 18.6 mtt -140.18 38.31 1.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 68.12 35.06 3.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -139.5 -65.3 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.52 1.138 . . . . 0.0 110.942 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -102.81 143.03 32.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 0.758 . . . . 0.0 110.298 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.454 HG13 ' HB3' ' A' ' 11' ' ' ARG . 27.8 t -130.13 142.75 42.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.108 . . . . 0.0 109.318 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.7 mtp -124.64 122.46 25.74 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.556 ' O ' ' CE2' ' A' ' 40' ' ' TYR . 18.4 Cg_endo -75.01 109.25 2.89 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.45 1.763 . . . . 0.0 111.048 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.937 HG21 HG12 ' A' ' 37' ' ' ILE . 85.5 t -103.35 150.27 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.118 . . . . 0.0 109.373 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.425 ' O ' HG13 ' A' ' 24' ' ' VAL . 14.7 p -119.71 144.65 27.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.467 ' CG2' ' SD ' ' A' ' 8' ' ' MET . 20.2 m -153.16 163.3 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.513 HG23 ' C ' ' A' ' 27' ' ' ASN . 35.3 m -58.83 153.47 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.76 -20.29 3.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.513 ' C ' HG23 ' A' ' 25' ' ' VAL . 4.0 m-20 -136.31 66.85 1.48 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.087 . . . . 0.0 109.341 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.51 ' HB2' HG22 ' A' ' 25' ' ' VAL . . . -90.91 178.98 5.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 42.0 p -127.54 -176.1 3.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.388 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.579 ' HA ' HD21 ' A' ' 79' ' ' LEU . 82.9 t -61.18 -38.07 78.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 31' ' ' LEU . 7.5 tp -61.95 -60.83 3.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 33' ' ' LEU . 3.1 t0 -41.15 -55.45 2.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.73 ' CD1' HD11 ' A' ' 37' ' ' ILE . 0.4 OUTLIER -39.9 -70.56 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.531 ' HG3' HD11 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -44.16 -61.27 1.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.346 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -42.54 -58.23 2.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 40' ' ' TYR . . . -46.9 -67.64 0.26 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.937 HG12 HG21 ' A' ' 22' ' ' VAL . 71.7 mt -39.52 -33.64 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -78.79 -55.46 5.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.325 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.786 ' O ' HD23 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -62.0 -12.16 17.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 1.116 . . . . 0.0 110.348 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.556 ' CE2' ' O ' ' A' ' 21' ' ' PRO . 58.6 t80 -81.5 -42.82 19.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.3 t -91.98 -45.28 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.338 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -50.57 -69.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.553 1.158 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.786 HD23 ' O ' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -46.96 -39.77 13.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.095 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.84 -71.1 0.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.57 ' OE1' HD11 ' A' ' 54' ' ' ILE . 90.9 mt-30 -54.74 -41.32 70.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.331 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.28 -49.37 23.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -70.04 -24.48 63.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -94.57 14.69 20.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.292 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 80.52 52.87 4.28 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 111.048 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 42.14 -159.81 0.05 OUTLIER Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.513 HG22 ' H ' ' A' ' 52' ' ' GLN . 0.5 OUTLIER -142.2 -175.45 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.558 0.799 . . . . 0.0 109.281 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.513 ' H ' HG22 ' A' ' 51' ' ' VAL . 1.7 mt-30 -53.59 -68.97 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -167.47 145.61 4.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.572 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.57 HD11 ' OE1' ' A' ' 45' ' ' GLN . 11.0 mt -139.51 129.77 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.37 73.08 0.9 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.107 . . . . 0.0 109.965 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 24.5 m95 -58.78 -46.47 87.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 107.991 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.473 ' O ' ' CB ' ' A' ' 61' ' ' ARG . 2.3 m -40.79 -56.5 2.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 110.01 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -58.99 -55.66 32.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 41.6 t -44.57 -62.78 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.472 ' CZ3' ' HG2' ' A' ' 34' ' ' LYS . 69.9 m95 -60.55 -36.5 78.59 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 107.993 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.473 ' CB ' ' O ' ' A' ' 57' ' ' SER . 0.2 OUTLIER -87.44 43.66 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.9 m -161.63 -43.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.37 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -120.3 141.34 50.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -112.59 174.63 5.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.618 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.649 HD22 ' CE1' ' A' ' 92' ' ' PHE . 17.2 mt -108.89 121.08 44.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.2 t -112.87 178.19 4.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.387 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.44 ' O ' ' N ' ' A' ' 70' ' ' GLU . 6.8 t 171.5 147.43 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.961 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 46.83 30.99 1.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 65.51 35.99 91.97 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 67' ' ' SER . 0.7 OUTLIER -137.6 137.75 38.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 0.783 . . . . 0.0 110.28 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.5 mttt -76.64 126.8 31.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.534 HD23 ' CE1' ' A' ' 82' ' ' TYR . 8.0 mt -93.89 71.02 4.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.8 p -98.43 -45.35 6.16 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.151 . . . . 0.0 110.448 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.47 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -51.51 125.35 14.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.248 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.51 -37.28 12.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 22.3 mmt-85 -63.47 -26.6 68.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.413 ' CE ' ' HB3' ' A' ' 81' ' ' ASP . 27.1 tttt -76.95 154.33 33.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -98.02 153.03 18.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.579 HD21 ' HA ' ' A' ' 30' ' ' VAL . 43.0 mt -61.31 -37.13 82.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 4.3 ttt85 -62.83 -47.94 81.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.413 ' HB3' ' CE ' ' A' ' 77' ' ' LYS . 13.6 m-20 -58.09 -17.94 21.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.534 ' CE1' HD23 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -91.7 -6.66 51.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 111.024 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 99.65 3.85 56.07 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 10.6 mt -94.08 104.86 16.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.496 0.762 . . . . 0.0 109.269 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -104.88 -174.72 2.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.095 . . . . 0.0 110.334 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.451 ' HA ' ' CB ' ' A' ' 8' ' ' MET . 3.6 p-10 -57.49 136.0 56.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 64.82 63.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -128.15 158.74 37.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -112.48 128.84 56.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.3 t -110.61 152.57 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 109.255 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.98 166.15 11.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.991 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.649 ' CE1' HD22 ' A' ' 65' ' ' LEU . 1.6 m-85 -114.63 124.17 51.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.5 tt -105.75 163.36 4.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 38.7 tttt -108.49 162.5 14.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -93.75 22.15 5.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 10.3 tt -138.82 138.88 37.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 161.97 102.81 0.18 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.437 1.086 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -103.01 28.14 6.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 0.755 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.09 -55.01 1.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 42.03 86.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.967 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -82.62 -163.04 32.67 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 110.957 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 161.72 38.32 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.465 1.771 . . . . 0.0 111.04 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.5 m -52.07 -55.81 18.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.993 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 2.4 t 60.21 95.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.987 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.464 1.102 . . . . 0.0 110.987 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m -62.56 115.09 3.96 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.472 0.748 . . . . 0.0 109.954 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.7 m 61.53 159.21 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.022 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.93 91.16 0.19 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.461 1.101 . . . . 0.0 111.059 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.17 173.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 0.787 . . . . 0.0 109.973 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.4 175.95 1.57 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.008 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.89 -156.16 26.53 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.485 ' CG ' HG23 ' A' ' 24' ' ' VAL . 1.2 ptm -147.89 157.25 43.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.772 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 m -105.15 108.13 19.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.414 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.77 HG11 HD21 ' A' ' 33' ' ' LEU . 94.3 t -106.74 124.06 62.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.47 ' HG2' ' CG1' ' A' ' 19' ' ' VAL . 2.6 mpt_? -87.76 158.81 18.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.311 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.562 HG21 ' CD1' ' A' ' 37' ' ' ILE . 74.5 t -133.23 131.18 58.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.6 t -102.31 84.57 2.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 108.302 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -49.47 156.18 0.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.7 ptt? -53.75 -42.53 68.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 111.042 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -149.97 48.15 0.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -133.15 -155.87 7.92 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.73 173.72 6.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 0.762 . . . . 0.0 110.278 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.47 ' CG1' ' HG2' ' A' ' 11' ' ' ARG . 61.7 t -75.19 137.42 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.2 mtp -125.73 122.38 24.63 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 110.998 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 108.88 2.81 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.456 1.766 . . . . 0.0 111.054 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.905 HG21 HG12 ' A' ' 37' ' ' ILE . 95.7 t -101.63 150.87 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 0.0 109.292 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 28.0 t -117.5 136.3 55.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.485 HG23 ' CG ' ' A' ' 8' ' ' MET . 0.7 OUTLIER -145.61 -177.19 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.272 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.626 HG22 ' HB2' ' A' ' 28' ' ' ALA . 18.3 m -82.68 151.56 4.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -51.14 -21.29 1.87 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.097 . . . . 0.0 110.288 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.422 ' C ' HG23 ' A' ' 25' ' ' VAL . 4.0 p30 -135.08 66.31 1.53 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.626 ' HB2' HG22 ' A' ' 25' ' ' VAL . . . -95.81 173.95 7.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.256 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.4 HG22 ' HA ' ' A' ' 78' ' ' LYS . 19.3 p -125.27 -176.58 3.62 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 110.398 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 92.1 t -58.39 -45.38 89.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.673 HD22 ' HE3' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -54.07 -61.66 2.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.254 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 33' ' ' LEU . 8.2 m-20 -43.32 -54.79 4.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.77 HD21 HG11 ' A' ' 10' ' ' VAL . 0.3 OUTLIER -39.81 -52.61 2.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.331 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.461 ' HG2' ' CE3' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -57.86 -52.1 66.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.673 ' HE3' HD22 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -52.22 -51.15 59.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.554 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -52.39 -70.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.557 1.161 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.905 HG12 HG21 ' A' ' 22' ' ' VAL . 87.2 mt -39.81 -34.36 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.423 ' HG2' ' CE2' ' A' ' 56' ' ' TRP . 3.1 mt-30 -73.96 -62.92 1.33 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.676 ' O ' HD23 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -53.58 -18.89 3.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.323 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -76.57 -42.04 44.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.8 t -87.19 -47.26 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -53.89 -69.31 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.274 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.775 ' C ' HD12 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -43.27 -37.76 2.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.112 . . . . 0.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.457 ' N ' HD12 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -57.85 -72.2 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -50.8 -41.91 57.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.541 1.15 . . . . 0.0 110.288 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.28 -48.25 12.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.264 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.31 -52.32 3.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.32 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -85.39 -24.83 27.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.64 66.0 0.51 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -48.77 176.39 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 53' ' ' HIS . 4.0 t -60.97 142.27 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -51.33 93.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.404 ' N ' ' O ' ' A' ' 51' ' ' VAL . 1.6 t60 63.15 135.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.591 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.562 HG12 ' CD1' ' A' ' 56' ' ' TRP . 0.7 OUTLIER -111.1 152.05 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.354 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.413 ' N ' HG13 ' A' ' 54' ' ' ILE . 0.4 OUTLIER -92.46 71.16 5.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.562 ' CD1' HG12 ' A' ' 54' ' ' ILE . 60.5 m95 -73.93 -38.49 64.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 108.023 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -39.79 -62.02 0.76 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.996 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -49.36 -52.86 25.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.981 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 77.7 t -47.21 -56.1 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.461 ' CE3' ' HG2' ' A' ' 34' ' ' LYS . 50.9 m95 -65.15 -27.93 69.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 107.98 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.3 39.98 0.97 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.275 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.475 HG22 ' CD1' ' A' ' 63' ' ' TYR . 5.1 m -159.61 -43.69 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.387 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.532 ' CE2' ' HG3' ' A' ' 94' ' ' LYS . 89.3 m-85 -116.29 151.86 35.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.983 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.457 ' HB2' ' CG2' ' A' ' 93' ' ' ILE . 80.9 m-70 -118.02 171.87 7.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.599 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.784 HD21 ' CZ ' ' A' ' 92' ' ' PHE . 87.3 mt -110.54 132.05 54.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.96 159.83 22.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.387 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.864 ' HG ' HD21 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -163.94 127.19 2.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 110.001 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.632 ' HB3' ' O ' ' A' ' 67' ' ' SER . . . 79.74 -52.65 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 172.73 -31.19 0.11 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -74.14 169.51 17.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 0.762 . . . . 0.0 110.33 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -106.92 117.18 33.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.864 HD21 ' HG ' ' A' ' 67' ' ' SER . 14.2 mt -71.8 108.95 5.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 68.1 p -128.05 -45.65 1.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.397 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.15 120.03 11.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.519 ' CB ' HD12 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -86.37 -36.18 19.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -67.44 -18.17 64.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.328 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.48 ' HD3' ' CE2' ' A' ' 82' ' ' TYR . 11.6 tttt -88.73 125.12 34.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.4 ' HA ' HG22 ' A' ' 29' ' ' THR . 0.9 OUTLIER -67.41 160.12 28.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 109.264 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 20.9 mt -68.55 -35.08 76.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.097 . . . . 0.0 109.276 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.5 ttt85 -60.9 -42.24 97.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.437 ' HB3' ' CE ' ' A' ' 77' ' ' LYS . 17.2 m-20 -54.78 -29.65 54.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.48 ' CE2' ' HD3' ' A' ' 77' ' ' LYS . 6.2 m-85 -85.83 3.14 42.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 84.16 9.74 81.65 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.529 1.143 . . . . 0.0 111.043 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 50.9 mt -79.96 141.43 15.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.474 0.749 . . . . 0.0 109.339 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.1 mmt85 -133.98 -172.29 2.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.565 1.166 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -75.81 144.96 41.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 71.39 31.17 2.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -91.28 -179.05 5.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -134.18 116.13 15.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.274 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.597 HG22 ' HB3' ' A' ' 67' ' ' SER . 3.3 t -104.45 151.93 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.53 161.59 25.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.959 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.784 ' CZ ' HD21 ' A' ' 65' ' ' LEU . 0.7 OUTLIER -106.14 151.88 24.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.457 ' CG2' ' HB2' ' A' ' 64' ' ' HIS . 1.3 tt -135.77 161.34 38.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.532 ' HG3' ' CE2' ' A' ' 63' ' ' TYR . 7.8 tttt -116.33 134.53 54.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -49.38 167.3 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.1 134.7 55.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.257 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 140.0 -128.65 3.97 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 36.5 mt-30 -39.26 151.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 0.747 . . . . 0.0 110.273 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.0 pttm -172.15 131.92 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.54 141.54 28.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.997 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -149.29 65.78 0.39 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.442 1.089 . . . . 0.0 110.99 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 62.69 5.87 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.528 1.804 . . . . 0.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 14.6 t 55.16 102.46 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.975 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 5.7 t 70.46 -61.75 0.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.96 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m 57.14 109.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 0.788 . . . . 0.0 110.0 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.98 -60.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.34 -176.42 14.35 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.6 t -178.74 83.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 0.0 109.956 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.4 p -137.69 108.54 6.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.17 . . . . 0.0 110.026 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.03 -160.56 30.45 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 110.999 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.29 166.94 26.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 0.796 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -118.93 97.49 5.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 110.367 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.696 HG11 HD21 ' A' ' 33' ' ' LEU . 98.9 t -87.17 114.52 26.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.4 mtt85 -83.06 117.37 22.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.331 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' A' ' 19' ' ' VAL . 73.9 t -96.61 98.92 8.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.349 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 14' ' ' LYS . 3.2 m -84.9 91.59 8.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 108.257 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 13' ' ' CYS . 54.0 mtmt -37.95 -90.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.447 ' CG ' ' N ' ' A' ' 16' ' ' ASP . 2.0 ptt? -178.34 -49.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.447 ' N ' ' CG ' ' A' ' 15' ' ' MET . 18.8 t0 -130.52 32.17 4.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -135.99 -145.06 5.01 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -115.77 116.54 28.22 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 0.77 . . . . 0.0 110.319 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 0.3 OUTLIER -42.43 142.84 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.7 mtp -115.98 122.33 32.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 111.036 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 109.25 2.9 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.436 1.756 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.893 HG21 HG12 ' A' ' 37' ' ' ILE . 99.2 t -103.46 150.41 6.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.722 ' O ' HG13 ' A' ' 24' ' ' VAL . 79.4 t -113.78 153.0 15.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.722 HG13 ' O ' ' A' ' 23' ' ' VAL . 5.4 m -160.52 173.94 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.521 HG23 ' C ' ' A' ' 27' ' ' ASN . 21.9 m -73.82 152.77 7.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.78 -21.94 1.9 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.521 ' C ' HG23 ' A' ' 25' ' ' VAL . 3.0 m-20 -131.24 63.58 1.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.465 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -91.05 178.17 6.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.579 1.175 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 77' ' ' LYS . 82.3 p -128.83 -174.5 3.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.364 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.617 ' HA ' HD21 ' A' ' 79' ' ' LEU . 86.8 t -64.14 -46.4 93.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.936 HD22 ' HE2' ' A' ' 35' ' ' LYS . 1.1 mt -52.56 -64.94 0.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.268 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 33' ' ' LEU . 1.2 m-20 -40.17 -55.29 2.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.965 HD12 HD13 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -39.81 -50.22 2.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.531 ' HG3' HD11 ' A' ' 65' ' ' LEU . 1.1 mptp? -67.09 -48.78 67.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.936 ' HE2' HD22 ' A' ' 31' ' ' LEU . 39.9 mttm -50.98 -53.39 33.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 40' ' ' TYR . . . -53.67 -63.19 1.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.893 HG12 HG21 ' A' ' 22' ' ' VAL . 55.2 mt -39.35 -35.51 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 109.334 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -76.14 -50.23 15.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.286 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.413 ' N ' ' O ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -68.28 -6.49 24.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.434 ' O ' ' CB ' ' A' ' 44' ' ' LYS . 8.1 t80 -86.07 -39.05 17.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 111.029 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.4 t -94.94 -42.42 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.319 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -54.81 -70.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.442 ' HA ' HD23 ' A' ' 43' ' ' LEU . 3.9 mt -51.79 -52.21 50.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.573 1.171 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 40' ' ' TYR . 17.4 tttt -46.04 -59.19 3.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -55.49 -53.84 51.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.326 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.97 -49.07 4.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -61.3 -43.36 99.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 110.305 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -74.94 -5.01 41.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 154.06 -86.74 0.13 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.515 1.135 . . . . 0.0 110.983 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 129.59 150.41 7.02 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.478 HG13 ' N ' ' A' ' 52' ' ' GLN . 0.3 OUTLIER -170.62 177.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 0.777 . . . . 0.0 109.314 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.478 ' N ' HG13 ' A' ' 51' ' ' VAL . 46.4 mm-40 -58.94 151.92 20.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 110.27 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 14.7 m80 -60.0 148.75 34.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.598 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.567 ' O ' HG22 ' A' ' 54' ' ' ILE . 4.5 mp -85.73 49.5 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.0 m 40.21 64.6 0.88 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 81.9 m95 -70.93 -45.88 63.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 107.988 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.2 m -41.0 -50.69 3.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.976 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -63.97 -50.74 67.39 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 110.977 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.7 t -50.77 -53.79 12.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.412 ' CZ3' ' HG2' ' A' ' 34' ' ' LYS . 40.8 m95 -65.38 -34.1 77.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 108.015 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -90.76 37.74 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.284 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.1 m -157.29 -47.06 0.07 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 110.389 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.444 ' CE1' ' HB2' ' A' ' 94' ' ' LYS . 72.4 m-85 -112.88 160.92 17.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.428 1.08 . . . . 0.0 111.011 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -133.53 171.42 14.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.605 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.965 HD13 HD12 ' A' ' 33' ' ' LEU . 28.2 mt -102.66 138.29 39.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.13 166.54 15.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.412 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.918 ' OG ' HD21 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -167.99 128.55 1.36 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 110.022 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 67' ' ' SER . . . 69.17 -64.9 0.31 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 67' ' ' SER . . . 173.32 38.56 0.04 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.506 1.128 . . . . 0.0 111.007 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -140.62 145.06 36.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 0.773 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -79.82 119.31 22.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.918 HD21 ' OG ' ' A' ' 67' ' ' SER . 21.7 mt -80.1 86.78 5.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.4 p -107.67 -59.93 1.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.411 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.05 121.1 3.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.659 ' CB ' HD12 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -91.26 -35.89 14.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.113 . . . . 0.0 109.284 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -12.64 56.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 110.245 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.414 ' O ' ' HB ' ' A' ' 29' ' ' THR . 23.4 tttt -90.34 149.0 22.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -90.96 146.32 23.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.145 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.617 HD21 ' HA ' ' A' ' 30' ' ' VAL . 38.1 mt -58.37 -42.12 86.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.58 -36.5 74.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.07 -15.41 63.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -95.65 -3.01 46.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 97.3 5.91 57.87 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.551 1.157 . . . . 0.0 111.022 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.678 HD11 ' OG ' ' A' ' 67' ' ' SER . 24.0 mt -92.53 103.89 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -102.62 -174.56 2.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.288 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -61.29 139.71 58.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 62.11 60.61 1.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 110.279 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -114.42 172.47 7.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -122.17 109.06 14.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.332 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.433 HG22 ' HB3' ' A' ' 67' ' ' SER . 6.1 t -107.28 147.44 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.12 167.11 15.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.02 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.634 ' CZ ' HD21 ' A' ' 65' ' ' LEU . 0.6 OUTLIER -102.25 138.95 38.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 111.03 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.7 tt -118.54 163.02 16.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.444 ' HB2' ' CE1' ' A' ' 63' ' ' TYR . 4.4 ttmt -114.08 147.15 39.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.403 ' N ' ' HG2' ' A' ' 94' ' ' LYS . 5.5 mtpt -69.51 -176.63 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.0 109.07 19.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 150.71 136.55 2.55 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.135 . . . . 0.0 110.936 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -99.58 103.19 14.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.744 . . . . 0.0 110.249 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -113.95 130.92 56.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 40.3 p -66.52 139.08 57.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.031 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 151.87 85.3 0.05 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 115.15 4.2 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.463 1.77 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 10.5 t -95.03 101.3 13.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.992 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 62.7 p -104.12 -60.11 1.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.004 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.468 1.105 . . . . 0.0 111.024 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -153.06 88.13 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 0.742 . . . . 0.0 110.028 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t 64.52 119.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.973 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.9 87.95 0.11 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.477 1.11 . . . . 0.0 110.956 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.67 101.61 11.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.749 . . . . 0.0 109.983 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -172.07 78.2 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.007 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.38 -166.38 38.83 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.52 1.138 . . . . 0.0 111.004 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.438 ' CB ' ' HA ' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -146.49 174.1 11.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 0.75 . . . . 0.0 110.996 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -118.08 99.68 7.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.384 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.76 HG11 HD21 ' A' ' 33' ' ' LEU . 99.4 t -93.4 107.42 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.2 mtt85 -76.76 139.11 40.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.535 HG21 ' CD1' ' A' ' 37' ' ' ILE . 89.9 t -120.27 83.97 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.336 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 20.0 t -67.64 80.73 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 108.312 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -40.16 153.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.267 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -48.93 -41.77 35.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.38 -55.58 31.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.103 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 158.63 -45.95 0.45 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.442 1.088 . . . . 0.0 110.989 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -51.54 126.08 16.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 0.785 . . . . 0.0 110.275 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.6 p -104.04 136.35 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.137 . . . . 0.0 109.324 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.2 mtp -112.55 122.7 35.69 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.0 111.019 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 108.78 2.8 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.44 1.758 . . . . 0.0 110.964 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.947 HG21 HG12 ' A' ' 37' ' ' ILE . 94.1 t -104.58 150.05 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 24' ' ' VAL . 24.9 t -115.7 145.38 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.516 ' HB ' ' HB2' ' A' ' 28' ' ' ALA . 3.5 m -151.84 179.61 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.438 1.086 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.3 m -75.53 150.17 6.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -44.28 -36.94 2.98 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -118.26 60.33 0.79 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.516 ' HB2' ' HB ' ' A' ' 24' ' ' VAL . . . -77.87 178.54 7.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 78.6 p -131.21 -175.51 3.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.386 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 74' ' ' GLU . 88.0 t -64.07 -55.58 21.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 109.241 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 tp -54.52 -56.29 20.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.9 OUTLIER -41.2 -58.26 1.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.76 HD21 HG11 ' A' ' 10' ' ' VAL . 0.6 OUTLIER -39.04 -60.26 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.532 ' HG2' ' CZ3' ' A' ' 60' ' ' TRP . 0.3 OUTLIER -49.83 -56.32 10.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -43.29 -44.23 5.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 40' ' ' TYR . . . -64.07 -66.1 0.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.947 HG12 HG21 ' A' ' 22' ' ' VAL . 80.5 mt -39.83 -35.14 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.443 ' HG2' ' CD1' ' A' ' 56' ' ' TRP . 7.2 mt-30 -74.83 -55.73 5.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.748 ' O ' HD23 ' A' ' 43' ' ' LEU . 14.4 mmt85 -64.18 -10.49 23.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' ALA . 39.9 t80 -82.44 -41.3 20.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 39.0 t -93.33 -44.52 13.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -52.06 -63.54 1.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 110.34 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.772 ' C ' HD12 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -51.75 -40.73 60.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.27 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.454 ' N ' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -51.33 -62.25 1.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.337 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.491 ' OE1' HD11 ' A' ' 54' ' ' ILE . 56.8 mt-30 -58.17 -49.27 77.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -38.61 -48.0 1.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.271 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.75 -55.9 4.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.128 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -80.56 -17.34 51.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 121.34 -65.69 0.47 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.53 1.144 . . . . 0.0 111.063 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 44.63 -155.45 0.32 Allowed Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 1.6 p -117.91 129.99 73.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.465 0.744 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -57.19 120.81 8.73 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 65.26 141.36 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.631 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.673 ' O ' HG22 ' A' ' 54' ' ' ILE . 49.5 mt -128.52 61.86 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 59.4 m 39.89 61.27 1.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.959 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.443 ' CD1' ' HG2' ' A' ' 38' ' ' GLN . 77.5 m95 -76.19 -41.42 49.59 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 108.017 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.0 m -44.79 -53.95 6.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 110.071 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -55.21 -47.76 74.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 38.5 t -51.18 -55.41 7.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.347 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.532 ' CZ3' ' HG2' ' A' ' 34' ' ' LYS . 37.5 m95 -63.89 -27.51 69.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 107.993 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -91.4 36.41 0.94 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 91.3 m -157.26 -48.7 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.404 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.564 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 96.9 m-85 -119.61 159.52 24.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 -121.87 174.87 6.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.54 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.612 HD21 ' CZ ' ' A' ' 92' ' ' PHE . 59.0 mt -104.38 112.56 25.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.589 HG21 ' HB ' ' A' ' 93' ' ' ILE . 0.0 OUTLIER -111.64 162.28 15.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.406 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.599 ' HB2' HG22 ' A' ' 90' ' ' VAL . 41.4 t -137.34 -53.22 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.971 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -171.96 70.66 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.59 -35.35 3.63 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -76.92 101.45 5.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 0.757 . . . . 0.0 110.284 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.9 mttp -76.24 111.16 11.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.903 HD21 HD11 ' A' ' 84' ' ' ILE . 16.4 mt -71.84 88.89 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 74' ' ' GLU . 69.2 p -112.45 -72.77 0.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.424 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.485 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.4 OUTLIER -41.1 136.36 1.57 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.104 . . . . 0.0 110.338 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.53 -44.15 7.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -61.59 -22.08 64.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.448 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 9.5 tttt -79.5 141.47 36.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.09 145.11 25.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.409 HD21 ' HA ' ' A' ' 30' ' ' VAL . 52.1 mt -57.08 -33.15 67.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 20.3 ttt-85 -62.99 -42.07 99.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -67.93 -15.98 63.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.448 ' CD2' ' HG2' ' A' ' 77' ' ' LYS . 0.7 OUTLIER -88.75 -13.1 40.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 111.016 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 103.3 3.04 47.9 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.903 HD11 HD21 ' A' ' 72' ' ' LEU . 62.5 mt -87.97 152.81 3.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.498 0.763 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.93 -175.23 5.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.438 ' HA ' ' CB ' ' A' ' 8' ' ' MET . 25.4 t30 -43.65 158.26 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 86' ' ' ASN . 24.2 mtt180 37.44 67.77 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 110.279 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.588 ' OD1' HG22 ' A' ' 10' ' ' VAL . 2.2 p-10 -110.49 140.62 44.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -95.61 110.78 22.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.599 HG22 ' HB2' ' A' ' 67' ' ' SER . 5.5 t -118.86 151.72 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -140.95 161.35 38.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.978 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.612 ' CZ ' HD21 ' A' ' 65' ' ' LEU . 2.5 m-85 -88.95 143.17 27.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 111.01 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.589 ' HB ' HG21 ' A' ' 66' ' ' THR . 13.4 tt -125.33 159.29 32.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.564 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 1.9 tttt -108.13 130.94 55.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -44.33 160.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.344 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.98 123.5 19.62 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 159.85 -72.81 0.22 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 76.67 151.84 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 0.781 . . . . 0.0 110.248 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.17 163.81 22.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.0 p -98.22 141.88 30.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 109.999 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -162.15 96.76 0.15 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.475 1.109 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -177.81 3.75 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.493 1.786 . . . . 0.0 110.976 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 1.8 m -160.98 172.51 16.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.052 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.29 149.24 24.53 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.138 . . . . 0.0 109.975 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.535 1.147 . . . . 0.0 111.023 179.945 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.94 107.88 18.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 0.749 . . . . 0.0 109.984 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.3 t -121.3 111.09 16.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 110.002 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.96 -65.0 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.542 1.151 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -165.91 167.07 17.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 0.765 . . . . 0.0 109.991 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 t -161.7 124.55 3.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.049 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.15 -151.89 21.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.515 1.135 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.508 ' CG ' HG23 ' A' ' 24' ' ' VAL . 2.3 ptm -150.83 154.89 38.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.749 . . . . 0.0 111.017 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.8 m -102.75 105.11 15.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 0.0 110.394 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.765 HG11 HD21 ' A' ' 33' ' ' LEU . 88.4 t -101.36 119.76 50.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 109.247 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -88.95 148.0 24.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 86.0 t -117.65 140.78 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.5 t -110.71 86.02 2.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 108.302 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -56.28 143.53 33.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.59 -38.08 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -158.49 26.94 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -106.4 -177.6 23.33 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.501 1.126 . . . . 0.0 111.041 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.416 ' HG2' ' N ' ' A' ' 19' ' ' VAL . 11.6 tt0 -90.12 143.54 26.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 0.776 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.416 ' N ' ' HG2' ' A' ' 18' ' ' GLU . 53.3 t -54.03 140.5 10.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.265 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 5.5 mtp -128.53 122.45 21.76 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 108.52 2.74 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.487 1.782 . . . . 0.0 111.045 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.901 HG21 HG12 ' A' ' 37' ' ' ILE . 70.7 t -101.82 152.65 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.591 ' O ' HG13 ' A' ' 24' ' ' VAL . 14.8 p -118.11 146.1 23.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.591 HG13 ' O ' ' A' ' 23' ' ' VAL . 3.5 m -157.08 172.3 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.453 HG23 ' N ' ' A' ' 28' ' ' ALA . 11.0 m -72.31 153.6 7.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.84 -21.29 7.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -129.7 56.26 1.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.173 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.462 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -85.23 174.07 9.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.659 ' C ' HD21 ' A' ' 79' ' ' LEU . 11.6 p -130.39 177.76 7.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.428 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.524 ' N ' HD21 ' A' ' 79' ' ' LEU . 93.6 t -51.51 -55.64 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 tp -48.04 -57.09 6.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -44.55 -56.41 4.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.765 HD21 HG11 ' A' ' 10' ' ' VAL . 0.2 OUTLIER -39.98 -54.68 2.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.732 ' HG3' HD11 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -55.48 -54.39 44.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.25 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 11.7 mttt -47.9 -54.59 12.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.406 ' HB1' HG13 ' A' ' 22' ' ' VAL . . . -53.93 -66.73 0.34 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.901 HG12 HG21 ' A' ' 22' ' ' VAL . 85.8 mt -40.03 -34.52 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -75.54 -50.98 13.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.342 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.791 ' O ' HD23 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -64.02 -10.78 23.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 18.5 t80 -84.8 -39.02 18.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.1 t -93.85 -40.7 11.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.2 tm0? -57.92 -69.31 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.791 HD23 ' O ' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -44.19 -39.8 4.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.245 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.431 ' N ' HD12 ' A' ' 43' ' ' LEU . 1.7 ttpt -57.48 -65.17 0.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -47.42 -46.8 26.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 110.288 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -49.66 62.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -60.27 -30.78 69.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 0.0 110.307 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -92.62 14.8 15.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 101.72 -53.12 0.83 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 123.59 147.77 7.37 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.429 HG22 ' H ' ' A' ' 52' ' ' GLN . 0.4 OUTLIER -89.95 179.61 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 0.738 . . . . 0.0 109.266 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.429 ' H ' HG22 ' A' ' 51' ' ' VAL . 4.7 mt-30 -56.23 -58.25 8.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -178.82 146.13 0.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.602 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.0 mt -120.08 120.76 64.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.01 61.36 3.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.156 . . . . 0.0 109.975 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 13.8 m95 -56.74 -50.75 71.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.518 1.136 . . . . 0.0 107.968 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 61' ' ' ARG . 27.5 m -39.47 -59.31 1.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.027 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -58.33 -44.87 88.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 111.037 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 40.1 t -54.78 -60.27 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.45 ' CZ3' ' HG2' ' A' ' 34' ' ' LYS . 51.9 m95 -62.59 -31.2 71.99 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.453 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 0.2 OUTLIER -89.64 44.89 1.23 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 1.098 . . . . 0.0 110.301 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.489 HG22 ' CD2' ' A' ' 63' ' ' TYR . 1.6 m -162.85 -50.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 110.412 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.561 ' CE1' ' HB2' ' A' ' 94' ' ' LYS . 80.1 m-85 -108.95 163.92 12.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 111.028 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -138.88 165.24 27.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.611 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.732 HD11 ' HG3' ' A' ' 34' ' ' LYS . 11.8 mt -93.25 138.26 31.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -132.37 165.59 23.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 110.401 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.479 ' HB3' HD11 ' A' ' 84' ' ' ILE . 1.2 t -164.83 133.28 3.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.982 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' A' ' 67' ' ' SER . . . 68.9 -65.35 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.155 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 67' ' ' SER . . . 170.91 38.66 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.465 1.103 . . . . 0.0 110.974 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -138.43 125.08 20.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.757 . . . . 0.0 110.282 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -64.93 112.69 3.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.533 HD23 ' CD1' ' A' ' 82' ' ' TYR . 8.3 mt -81.25 79.34 7.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 109.343 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.7 p -97.78 -50.62 4.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.61 135.3 23.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -101.88 -42.71 6.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -62.25 -14.11 35.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.404 ' O ' ' HB ' ' A' ' 29' ' ' THR . 19.9 tttt -87.96 131.9 34.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -77.64 150.12 34.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.659 HD21 ' C ' ' A' ' 29' ' ' THR . 16.9 mt -60.64 -42.21 96.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.498 1.123 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.61 -29.87 62.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.27 -14.72 59.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.533 ' CD1' HD23 ' A' ' 72' ' ' LEU . 0.7 OUTLIER -96.8 -0.8 47.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.569 1.168 . . . . 0.0 110.993 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.93 -8.45 70.43 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.555 1.159 . . . . 0.0 111.004 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.479 HD11 ' HB3' ' A' ' 67' ' ' SER . 76.4 mt -78.02 126.73 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.767 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 29.9 mmt85 -125.53 -174.06 2.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 110.265 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -63.49 142.63 58.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 61.34 54.56 3.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.41 ' OD2' HG23 ' A' ' 84' ' ' ILE . 41.8 t0 -116.62 172.3 7.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.329 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -122.9 117.65 26.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.266 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.9 t -104.33 155.26 5.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -123.45 160.51 26.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.996 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.566 ' CZ ' HD21 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -109.07 124.25 50.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.973 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.1 tt -107.45 167.19 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.561 ' HB2' ' CE1' ' A' ' 63' ' ' TYR . 10.8 tttt -116.55 141.0 48.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 96' ' ' LEU . 2.2 mttp -58.07 159.46 5.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 95' ' ' LYS . 1.7 tp 51.76 177.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -91.78 95.66 2.07 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.499 1.125 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -168.44 157.34 8.86 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 0.783 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.2 113.98 4.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.56 154.52 26.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.03 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -151.04 114.28 0.63 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.507 1.13 . . . . 0.0 111.015 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -50.31 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.499 1.789 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.09 122.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.993 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.83 138.27 45.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.97 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 111.005 -179.942 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 p -147.33 -58.66 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 0.774 . . . . 0.0 110.004 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.54 105.22 2.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.0 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.94 -177.68 37.88 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.458 1.099 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.19 74.6 1.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.991 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.0 p -167.51 104.02 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.981 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.68 -150.45 19.02 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.418 ' CB ' ' HA ' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -153.74 169.88 22.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 0.776 . . . . 0.0 111.0 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -122.58 100.29 6.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.39 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.408 ' N ' ' O ' ' A' ' 22' ' ' VAL . 91.4 t -91.63 138.85 18.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.482 ' HB3' ' CG2' ' A' ' 19' ' ' VAL . 12.7 mtp85 -101.81 148.61 25.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.284 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.452 HG21 HG12 ' A' ' 37' ' ' ILE . 94.2 t -126.39 80.28 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.5 t -69.77 86.1 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 108.303 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 16' ' ' ASP . 30.2 mtmt -44.34 167.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.482 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -66.05 68.83 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 111.018 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.482 ' CB ' ' O ' ' A' ' 15' ' ' MET . 9.7 t0 81.05 40.78 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -125.41 -145.79 6.58 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.533 1.146 . . . . 0.0 110.984 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -104.19 117.38 34.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 0.76 . . . . 0.0 110.288 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.482 ' CG2' ' HB3' ' A' ' 11' ' ' ARG . 2.0 p -64.51 145.98 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.42 ' HB3' ' CE2' ' A' ' 40' ' ' TYR . 21.0 mtm -126.58 125.65 24.46 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 105.04 2.0 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.501 1.79 . . . . 0.0 111.033 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.802 HG21 HG12 ' A' ' 37' ' ' ILE . 47.9 t -99.23 147.47 7.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.551 ' O ' HG13 ' A' ' 24' ' ' VAL . 71.9 t -115.83 147.96 18.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.551 HG13 ' O ' ' A' ' 23' ' ' VAL . 5.7 m -155.69 170.49 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.443 HG23 ' C ' ' A' ' 27' ' ' ASN . 34.0 m -63.82 155.26 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -51.04 -29.2 12.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.443 ' C ' HG23 ' A' ' 25' ' ' VAL . 2.0 m-80 -126.96 66.41 1.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.447 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -88.31 176.41 7.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 69.7 p -128.49 -173.81 3.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.443 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.506 HG21 ' O ' ' A' ' 74' ' ' GLU . 70.7 t -64.27 -44.31 97.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 31' ' ' LEU . 9.9 tp -55.04 -65.26 0.61 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.54 -56.13 2.66 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.769 HD12 HD13 ' A' ' 65' ' ' LEU . 0.3 OUTLIER -39.76 -65.88 0.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.528 ' HG2' ' CE3' ' A' ' 60' ' ' TRP . 1.4 mptp? -44.52 -63.44 0.9 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.271 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.85 -60.7 1.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.108 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.507 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -43.64 -65.75 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.802 HG12 HG21 ' A' ' 22' ' ' VAL . 71.1 mt -39.78 -37.46 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 109.284 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -77.07 -46.49 23.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 110.278 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.85 ' O ' HD23 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -68.27 -7.56 31.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.256 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.42 ' CE2' ' HB3' ' A' ' 20' ' ' MET . 69.1 t80 -86.52 -37.99 17.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 111.008 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.4 t -93.89 -39.28 10.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.41 -67.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.85 HD23 ' O ' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -47.71 -40.23 19.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.73 -65.29 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.424 ' O ' ' N ' ' A' ' 49' ' ' GLY . 88.0 mt-30 -47.96 -57.99 5.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.58 1.175 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.09 -50.31 2.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -58.14 -52.99 63.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -64.68 -19.34 65.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 45' ' ' GLN . . . 106.82 -53.57 0.61 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -39.81 155.8 0.03 OUTLIER Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.658 ' O ' HG13 ' A' ' 51' ' ' VAL . 11.6 p -170.63 85.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 109.314 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -96.96 -179.68 4.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.78 122.8 29.16 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.128 . . . . 0.0 109.634 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 48.9 mt -125.21 149.62 29.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.4 p -120.3 83.12 2.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.958 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -74.86 -45.83 40.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 107.993 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 61' ' ' ARG . 2.0 m -40.14 -60.98 0.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.966 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 48.1 t80 -45.4 -53.53 8.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.9 t -50.88 -52.56 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.528 ' CE3' ' HG2' ' A' ' 34' ' ' LYS . 73.4 m95 -64.58 -26.09 68.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 107.99 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 57' ' ' SER . 0.0 OUTLIER -93.13 19.36 8.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.277 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.444 HG22 ' CD2' ' A' ' 63' ' ' TYR . 1.4 m -140.48 -48.96 0.44 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.444 ' CD2' HG22 ' A' ' 62' ' ' THR . 98.7 m-85 -110.05 172.21 7.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 53.7 m-70 -148.98 166.37 28.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.61 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.769 HD13 HD12 ' A' ' 33' ' ' LEU . 13.5 mt -93.86 131.87 38.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.6 HG22 ' O ' ' A' ' 91' ' ' SER . 1.1 t -106.58 171.83 7.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 110.381 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.885 ' HB3' HD21 ' A' ' 72' ' ' LEU . 8.8 t 171.25 143.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.003 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 67' ' ' SER . . . 39.98 60.89 1.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 39.26 35.88 0.51 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.477 1.111 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 67' ' ' SER . 0.6 OUTLIER -139.75 151.08 45.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 0.747 . . . . 0.0 110.318 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.94 135.7 33.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.885 HD21 ' HB3' ' A' ' 67' ' ' SER . 13.9 mt -95.3 87.94 4.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.4 p -111.99 -52.32 2.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.433 1.083 . . . . 0.0 110.356 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.506 ' O ' HG21 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -48.31 128.44 14.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.56 -39.11 10.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.77 -25.12 68.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.44 1.088 . . . . 0.0 110.276 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -78.75 146.72 33.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -93.84 149.08 21.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 46.7 mt -56.4 -39.59 73.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.3 ttt180 -55.83 -42.62 75.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -61.87 -24.59 67.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -89.75 10.92 21.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.125 . . . . 0.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.64 28.65 64.91 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.532 1.145 . . . . 0.0 110.959 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 10.7 mt -104.86 112.85 40.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.509 0.77 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? -108.75 -174.44 2.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.256 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 87' ' ' ARG . 7.6 t30 -63.3 155.73 27.73 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.451 ' N ' ' OD1' ' A' ' 86' ' ' ASN . 15.0 mtt180 47.97 57.03 6.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -113.81 163.53 14.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -115.8 138.33 51.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.355 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 2.4 t -138.47 151.28 24.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.6 ' O ' HG22 ' A' ' 66' ' ' THR . 0.1 OUTLIER -126.33 166.28 17.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.023 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.545 ' CZ ' HD21 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -100.19 140.75 33.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.992 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.7 tt -114.89 160.08 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.115 . . . . 0.0 109.271 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -105.81 135.11 47.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.81 153.49 4.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.7 tt -65.74 88.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -90.79 -151.25 26.01 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.466 1.104 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.43 144.74 51.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 0.743 . . . . 0.0 110.292 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.42 126.96 53.14 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.122 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 32.2 p -101.45 -20.5 15.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 109.991 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -167.04 98.32 0.14 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.493 1.12 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -36.11 2.72 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.47 1.773 . . . . 0.0 110.977 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 24.9 p 60.91 166.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.014 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 89.6 p -169.36 115.18 0.57 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.006 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.505 1.128 . . . . 0.0 111.008 179.999 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.47 124.13 17.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 0.76 . . . . 0.0 110.004 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 t -131.11 -56.7 1.03 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.995 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.36 -145.56 14.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.5 t -111.32 76.65 0.99 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 0.772 . . . . 0.0 109.971 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.21 143.55 19.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.97 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.82 -165.11 18.06 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.435 ' SD ' ' CG2' ' A' ' 24' ' ' VAL . 0.0 OUTLIER -142.26 -178.23 5.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 0.788 . . . . 0.0 111.043 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -128.46 100.08 5.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 110.41 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.686 HG11 HD21 ' A' ' 33' ' ' LEU . 92.7 t -96.89 116.37 38.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.458 ' HB3' ' CG2' ' A' ' 19' ' ' VAL . 26.4 mtt-85 -86.79 141.81 28.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 110.274 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.82 HG21 ' CD1' ' A' ' 37' ' ' ILE . 73.0 t -120.99 86.61 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.327 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 14' ' ' LYS . 4.3 m -69.38 83.36 0.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 108.296 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 13' ' ' CYS . 47.9 mtmt -39.43 143.3 0.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.42 ' SD ' ' CD1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -41.04 -36.09 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -156.14 41.82 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -130.36 -168.61 12.31 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -94.33 113.96 25.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 0.739 . . . . 0.0 110.271 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' ' 11' ' ' ARG . 0.2 OUTLIER -40.24 136.48 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.327 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.473 ' HB3' ' CE2' ' A' ' 40' ' ' TYR . 25.4 mtm -118.48 123.34 29.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 105.53 2.1 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.797 . . . . 0.0 111.001 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.988 HG21 HG12 ' A' ' 37' ' ' ILE . 47.2 t -100.81 150.1 5.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.321 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.457 ' O ' HG13 ' A' ' 24' ' ' VAL . 70.3 t -116.91 147.0 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 23' ' ' VAL . 21.4 m -154.17 165.33 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.42 HG23 ' C ' ' A' ' 27' ' ' ASN . 20.5 m -58.44 155.64 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -55.48 -18.23 6.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.279 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.42 ' C ' HG23 ' A' ' 25' ' ' VAL . 2.7 p30 -135.12 63.88 1.6 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.448 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -90.78 175.44 7.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.409 HG22 ' CG ' ' A' ' 78' ' ' LYS . 38.4 p -129.43 -176.82 4.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.387 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.522 HG21 ' O ' ' A' ' 74' ' ' GLU . 55.3 t -58.52 -42.18 83.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.1 tp -58.03 -64.94 0.73 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -40.27 -55.35 2.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.813 HD12 HD13 ' A' ' 65' ' ' LEU . 0.3 OUTLIER -40.19 -58.04 1.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.343 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -51.97 -61.47 2.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.25 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -41.37 -52.93 3.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.637 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -53.49 -67.93 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.988 HG12 HG21 ' A' ' 22' ' ' VAL . 86.3 mt -39.62 -33.4 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.402 ' N ' ' C ' ' A' ' 36' ' ' ALA . 8.8 mt-30 -76.42 -56.57 4.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 110.265 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.714 ' O ' HD23 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -59.83 -14.21 13.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.473 ' CE2' ' HB3' ' A' ' 20' ' ' MET . 93.5 t80 -77.12 -48.78 16.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.5 t -87.08 -48.3 15.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -46.74 -59.46 3.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 110.326 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.753 ' C ' HD12 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -57.28 -39.99 76.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -51.14 -72.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 49' ' ' GLY . 90.3 mt-30 -44.78 -49.28 10.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -38.32 -47.48 1.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -70.77 -44.48 66.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -65.02 -15.64 62.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.282 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 45' ' ' GLN . . . 98.59 56.22 1.05 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.452 1.095 . . . . 0.0 111.032 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -126.01 172.16 17.83 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -102.53 145.86 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -70.34 61.96 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.288 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -155.68 105.8 2.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.552 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.602 ' O ' HG22 ' A' ' 54' ' ' ILE . 3.0 mt -129.92 29.64 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.3 p 51.69 39.29 24.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.443 ' HB3' ' CD1' ' A' ' 60' ' ' TRP . 22.4 m95 -55.26 -34.2 63.84 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 61' ' ' ARG . 39.4 m -50.21 -56.85 9.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.967 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -57.39 -49.22 76.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 3.6 t -52.37 -64.14 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.443 ' CD1' ' HB3' ' A' ' 56' ' ' TRP . 64.9 m95 -57.36 -26.81 61.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 108.009 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.412 ' O ' ' CG ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -95.78 35.14 1.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 64.3 m -156.54 -45.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.426 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.558 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 95.0 m-85 -122.57 147.81 45.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -118.77 175.71 5.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 109.622 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.813 HD13 HD12 ' A' ' 33' ' ' LEU . 42.0 mt -99.52 132.35 44.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.527 HG22 ' O ' ' A' ' 91' ' ' SER . 1.0 OUTLIER -122.6 169.72 10.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.707 ' HB2' HG22 ' A' ' 90' ' ' VAL . 1.0 OUTLIER -178.03 132.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 110.002 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 67' ' ' SER . . . 69.43 -64.69 0.33 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 67' ' ' SER . . . 169.58 39.66 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -143.22 133.49 24.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 0.0 110.273 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 61.7 mttt -72.14 113.76 9.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.774 HD23 ' CE1' ' A' ' 82' ' ' TYR . 14.3 mt -78.12 87.98 4.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 21.7 p -114.78 -52.51 2.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.452 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.522 ' O ' HG21 ' A' ' 30' ' ' VAL . 0.4 OUTLIER -48.03 124.2 7.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.338 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.63 -42.28 11.47 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.15 -32.37 68.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -74.36 147.02 42.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.409 ' CG ' HG22 ' A' ' 29' ' ' THR . 0.0 OUTLIER -97.93 150.57 21.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.7 mt -55.4 -37.64 67.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -59.12 -43.4 91.95 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.58 -11.93 61.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.774 ' CE1' HD23 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -90.84 -7.23 52.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.976 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 99.11 -5.88 59.53 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.517 1.135 . . . . 0.0 111.022 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.502 ' CG2' ' CG ' ' A' ' 88' ' ' ASP . 20.3 mt -81.55 148.99 5.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.71 -175.36 4.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -57.31 130.39 46.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 18.8 mtm180 65.15 73.3 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.322 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.515 ' OD1' HG22 ' A' ' 10' ' ' VAL . 6.2 p-10 -120.94 -175.6 3.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -128.11 115.99 19.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.707 HG22 ' HB2' ' A' ' 67' ' ' SER . 3.2 t -119.94 150.55 22.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.527 ' O ' HG22 ' A' ' 66' ' ' THR . 0.0 OUTLIER -136.62 166.59 23.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.958 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.557 ' CZ ' HD21 ' A' ' 65' ' ' LEU . 1.2 m-85 -100.51 127.28 46.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 63' ' ' TYR . 3.2 tt -107.7 166.49 4.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.558 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 35.0 tttt -109.77 134.64 51.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 109.34 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -54.31 178.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.128 . . . . 0.0 109.359 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.47 111.74 9.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 132.18 133.65 3.46 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -121.39 89.31 3.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 0.75 . . . . 0.0 110.301 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.5 tptt -58.69 -65.95 0.58 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.06 -61.57 1.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.973 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 138.08 -150.15 20.8 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 109.7 2.98 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.475 1.777 . . . . 0.0 111.028 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.19 148.09 37.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 53.6 p -143.61 147.52 34.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.011 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.454 1.096 . . . . 0.0 110.973 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.4 t -132.2 85.59 2.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 0.743 . . . . 0.0 109.994 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.9 p -170.29 123.68 0.7 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.973 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.84 -72.91 0.02 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.523 1.139 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.07 -54.54 5.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 109.993 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.91 167.84 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.992 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.32 -154.35 24.0 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.46 1.1 . . . . 0.0 110.972 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.456 ' SD ' ' CG2' ' A' ' 24' ' ' VAL . 0.6 OUTLIER -147.33 173.08 12.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 0.76 . . . . 0.0 110.972 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -124.5 98.15 5.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.444 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.536 HG22 ' OD1' ' A' ' 88' ' ' ASP . 89.1 t -92.2 122.65 43.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.517 ' HB3' HG21 ' A' ' 19' ' ' VAL . 5.3 mtt180 -86.87 145.73 26.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 70.9 t -118.97 79.08 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.43 ' O ' ' C ' ' A' ' 14' ' ' LYS . 28.6 t -68.49 88.16 0.33 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 108.297 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 13' ' ' CYS . 3.8 mtmt -38.09 -89.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.56 -43.22 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -67.96 -31.81 71.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 143.63 -23.0 2.17 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.532 1.145 . . . . 0.0 110.948 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -65.76 110.1 2.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 0.741 . . . . 0.0 110.319 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.517 HG21 ' HB3' ' A' ' 11' ' ' ARG . 3.1 p -111.99 139.17 37.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.8 mtp -113.97 122.74 34.09 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 109.45 2.93 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.508 1.794 . . . . 0.0 111.033 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.87 HG21 HG12 ' A' ' 37' ' ' ILE . 67.5 t -102.17 149.63 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.155 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.451 ' C ' HG13 ' A' ' 24' ' ' VAL . 54.1 t -114.3 143.4 24.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.456 ' CG2' ' SD ' ' A' ' 8' ' ' MET . 35.1 m -154.81 159.29 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.633 HG22 ' HB2' ' A' ' 28' ' ' ALA . 25.7 m -48.49 156.66 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.72 -17.2 13.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.14 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.521 ' C ' HG23 ' A' ' 25' ' ' VAL . 54.9 m-20 -137.72 62.62 1.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.633 ' HB2' HG22 ' A' ' 25' ' ' VAL . . . -89.04 176.05 7.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.483 ' C ' HD21 ' A' ' 79' ' ' LEU . 20.9 p -131.01 -176.09 3.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.432 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.435 ' N ' HD21 ' A' ' 79' ' ' LEU . 46.7 t -55.12 -47.29 77.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.1 tp -54.97 -62.38 1.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 109.281 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.448 ' HB3' ' HB1' ' A' ' 28' ' ' ALA . 3.7 t70 -40.46 -58.24 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.672 ' CD1' HD11 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -40.76 -58.26 1.7 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.535 ' HG3' HD11 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -54.62 -45.42 73.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.5 mtpt -58.45 -37.47 75.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.531 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -67.57 -70.5 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.87 HG12 HG21 ' A' ' 22' ' ' VAL . 55.0 mt -39.97 -31.06 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.422 ' N ' ' C ' ' A' ' 36' ' ' ALA . 4.6 mt-30 -70.17 -56.69 6.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.772 ' O ' HD23 ' A' ' 43' ' ' LEU . 1.2 mpt_? -69.04 -6.57 28.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -86.58 -38.52 17.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 91.8 t -94.28 -38.4 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -61.32 -67.7 0.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 110.336 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.777 ' C ' HD12 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -42.68 -38.8 2.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.41 ' N ' HD12 ' A' ' 43' ' ' LEU . 2.3 tttp -60.5 -71.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.599 ' OE1' ' CD2' ' A' ' 53' ' ' HIS . 51.9 mt-30 -44.07 -36.82 2.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.267 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -51.07 -54.7 22.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -81.76 -21.52 37.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.133 . . . . 0.0 110.264 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -90.98 20.46 4.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.552 1.158 . . . . 0.0 110.301 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 154.09 -80.53 0.18 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.512 1.132 . . . . 0.0 110.979 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 117.32 -49.5 0.85 Allowed Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.476 ' CG1' ' O ' ' A' ' 51' ' ' VAL . 0.5 OUTLIER -45.45 115.89 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.767 . . . . 0.0 109.251 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -51.26 135.97 25.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . 0.599 ' CD2' ' OE1' ' A' ' 45' ' ' GLN . 0.3 OUTLIER -172.83 50.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.568 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.2 mt -134.84 139.79 46.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.528 ' O ' HG23 ' A' ' 59' ' ' VAL . 21.6 p -115.6 71.06 0.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.989 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 26.8 m95 -64.82 -35.79 82.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 108.011 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.456 ' O ' ' CB ' ' A' ' 61' ' ' ARG . 0.2 OUTLIER -47.09 -59.36 3.19 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.969 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -64.1 -49.28 72.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 110.967 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 55' ' ' SER . 54.9 t -46.89 -66.67 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.432 ' CZ3' ' HG2' ' A' ' 34' ' ' LYS . 44.7 m95 -57.39 -37.94 73.48 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.456 ' CB ' ' O ' ' A' ' 57' ' ' SER . 0.3 OUTLIER -88.48 43.64 1.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.556 1.16 . . . . 0.0 110.264 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 23.2 m -157.52 -46.05 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.09 . . . . 0.0 110.359 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.487 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 96.7 m-85 -124.06 168.89 12.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -138.19 176.12 8.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.598 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.535 HD11 ' HG3' ' A' ' 34' ' ' LYS . 21.9 mt -101.7 134.28 45.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.246 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.13 168.61 15.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.396 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.714 ' O ' ' HB3' ' A' ' 68' ' ' ALA . 0.2 OUTLIER 176.3 126.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.025 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.714 ' HB3' ' O ' ' A' ' 67' ' ' SER . . . 85.21 -47.63 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.251 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 157.02 -23.56 0.47 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.78 160.7 22.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 0.759 . . . . 0.0 110.358 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.4 mttp -97.81 118.81 35.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.1 mt -74.88 85.64 2.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.4 p -116.21 -8.8 11.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.145 . . . . 0.0 110.399 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.416 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 1.5 mp0 -89.67 109.12 20.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 110.291 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -76.8 -27.52 55.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.128 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 14.5 mmt85 -81.88 -20.41 38.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.518 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 9.5 tttt -84.67 124.68 31.76 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.412 ' CG ' HG22 ' A' ' 29' ' ' THR . 5.0 mttt -73.79 151.07 40.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.483 HD21 ' C ' ' A' ' 29' ' ' THR . 17.2 mt -59.83 -39.27 84.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -59.77 -41.65 91.55 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -64.53 -18.15 64.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.518 ' CD2' ' HG2' ' A' ' 77' ' ' LYS . 0.8 OUTLIER -92.99 -1.18 56.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 111.018 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 91.29 8.35 64.51 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.545 1.153 . . . . 0.0 111.027 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.508 ' CG2' ' CG ' ' A' ' 88' ' ' ASP . 47.6 mt -93.15 111.41 24.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.76 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -102.4 -175.0 2.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.152 . . . . 0.0 110.273 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -66.1 144.65 56.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.77 32.71 6.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.345 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.536 ' OD1' HG22 ' A' ' 10' ' ' VAL . 4.7 p-10 -85.87 -173.45 4.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -137.65 120.12 15.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.475 HG22 ' HB2' ' A' ' 67' ' ' SER . 2.8 t -115.8 149.98 17.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.27 168.99 13.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.017 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.525 ' CE1' ' CD2' ' A' ' 65' ' ' LEU . 0.4 OUTLIER -107.34 130.23 54.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.969 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.8 tt -107.09 163.24 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.487 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 7.0 tttt -110.77 131.13 55.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -53.21 -179.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -118.14 84.22 2.14 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.26 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 109.71 124.27 4.8 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 179.41 153.14 0.43 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 0.785 . . . . 0.0 110.357 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.42 134.57 49.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.82 166.86 10.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.02 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 128.98 79.09 0.23 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.491 1.119 . . . . 0.0 110.971 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 152.19 40.35 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.5 1.789 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 92.2 p -97.14 87.44 4.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.117 . . . . 0.0 109.966 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 32.2 t 51.76 73.49 0.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.969 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.543 1.152 . . . . 0.0 110.975 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.46 167.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 0.779 . . . . 0.0 109.998 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.0 t -59.9 118.01 5.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.004 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.63 179.14 34.36 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.39 95.25 1.02 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 0.746 . . . . 0.0 109.998 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.4 m -119.54 153.52 35.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.027 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.44 -139.2 10.45 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.503 1.127 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.86 -176.91 6.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 111.063 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -125.38 100.08 6.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.385 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.721 HG11 HD21 ' A' ' 33' ' ' LEU . 88.4 t -98.42 109.55 24.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.463 ' HB3' HG13 ' A' ' 19' ' ' VAL . 80.4 mtt180 -79.62 116.21 19.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.47 HG21 HD13 ' A' ' 37' ' ' ILE . 4.2 p -91.77 143.49 11.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.147 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 3.3 t -111.75 93.22 4.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 108.306 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -48.8 158.21 0.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -54.53 -46.64 73.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -145.99 47.02 1.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -132.92 -156.44 8.14 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.528 1.143 . . . . 0.0 110.958 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.74 164.03 11.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 0.753 . . . . 0.0 110.309 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.463 HG13 ' HB3' ' A' ' 11' ' ' ARG . 55.1 t -66.95 136.14 27.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.401 ' HB2' HG12 ' A' ' 12' ' ' VAL . 4.3 mtp -123.92 122.32 26.31 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 107.66 2.54 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.501 1.79 . . . . 0.0 110.947 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.811 HG21 HG12 ' A' ' 37' ' ' ILE . 79.3 t -101.55 148.98 6.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 109.364 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.595 ' O ' HG13 ' A' ' 24' ' ' VAL . 13.1 p -115.56 147.42 18.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.713 HG12 ' OD1' ' A' ' 32' ' ' ASP . 16.0 m -157.61 166.18 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.453 HG23 ' C ' ' A' ' 27' ' ' ASN . 32.7 m -65.11 152.95 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -51.2 -27.44 8.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.453 ' C ' HG23 ' A' ' 25' ' ' VAL . 19.1 m-20 -124.6 59.21 1.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.474 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -85.58 175.87 8.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.584 ' C ' HD21 ' A' ' 79' ' ' LEU . 18.8 p -131.08 178.89 6.35 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 110.377 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.477 ' N ' HD21 ' A' ' 79' ' ' LEU . 73.9 t -53.89 -48.52 62.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 109.294 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.611 HD22 ' CE ' ' A' ' 35' ' ' LYS . 1.2 mt -54.08 -54.16 43.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.713 ' OD1' HG12 ' A' ' 24' ' ' VAL . 7.7 t70 -46.61 -54.36 9.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.752 HD12 HD13 ' A' ' 65' ' ' LEU . 0.4 OUTLIER -40.17 -53.15 2.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.559 ' HG2' ' CZ3' ' A' ' 60' ' ' TRP . 1.0 OUTLIER -63.29 -55.63 23.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.611 ' CE ' HD22 ' A' ' 31' ' ' LEU . 39.4 mttt -49.49 -27.1 3.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.521 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -78.74 -67.07 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.811 HG12 HG21 ' A' ' 22' ' ' VAL . 58.9 mt -40.64 -29.81 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.301 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.439 ' N ' ' C ' ' A' ' 36' ' ' ALA . 7.5 mt-30 -76.97 -49.3 15.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 36' ' ' ALA . 24.7 mmt180 -68.24 -6.72 25.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.428 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 5.1 t80 -85.64 -39.11 17.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.7 t -94.92 -43.3 12.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.8 -70.8 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 mt -52.19 -59.45 4.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.423 ' CB ' ' O ' ' A' ' 40' ' ' TYR . 82.7 tttt -40.52 -63.97 0.58 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.255 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -47.29 -51.32 19.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.587 1.179 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.96 -56.43 7.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.323 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -62.23 -21.25 65.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -103.51 17.34 24.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.598 1.186 . . . . 0.0 110.29 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 55.21 74.83 0.28 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.524 1.14 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -149.09 108.8 0.42 Allowed Glycine 0 CA--C 1.53 1.008 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.3 p -72.37 126.94 33.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 109.328 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -47.54 136.86 9.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.481 1.113 . . . . 0.0 110.273 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -147.37 29.5 0.95 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.644 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 64.4 mt -122.04 133.06 69.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.34 69.37 5.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 110.042 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -48.0 -37.95 15.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 107.998 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -42.87 -61.58 1.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 0.0 109.996 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.534 ' CE1' ' OG1' ' A' ' 62' ' ' THR . 27.8 t80 -62.73 -42.52 99.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 111.038 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 54.4 t -47.35 -53.62 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.559 ' CZ3' ' HG2' ' A' ' 34' ' ' LYS . 29.1 m95 -68.88 -27.14 65.53 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.57 26.64 2.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.345 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.639 HG22 ' CD2' ' A' ' 63' ' ' TYR . 1.2 m -150.65 -47.63 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.438 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.639 ' CD2' HG22 ' A' ' 62' ' ' THR . 97.1 m-85 -113.2 160.29 18.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.949 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.561 ' HB2' HG23 ' A' ' 93' ' ' ILE . 61.4 m-70 -126.73 177.43 6.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.606 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.752 HD13 HD12 ' A' ' 33' ' ' LEU . 31.4 mt -108.4 117.14 33.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.418 ' O ' HG13 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -115.43 162.97 16.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 110.39 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.6 t -133.5 -61.74 0.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.008 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -162.26 73.51 0.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.153 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.76 -36.07 3.52 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.512 1.133 . . . . 0.0 111.016 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -80.74 117.03 21.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.763 . . . . 0.0 110.238 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.483 ' HE2' HD13 ' A' ' 93' ' ' ILE . 39.8 mttt -82.57 115.78 21.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.567 HD21 HD11 ' A' ' 84' ' ' ILE . 13.7 mt -76.98 92.0 3.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 76.0 p -120.08 -58.54 1.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.4 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.87 121.65 4.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.337 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.437 ' HB3' ' CG ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -91.62 -38.85 12.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -63.1 -12.22 25.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.26 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -97.06 138.61 34.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.098 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -81.45 154.04 26.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.584 HD21 ' C ' ' A' ' 29' ' ' THR . 19.6 mt -63.74 -41.45 98.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -59.31 -24.15 63.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.262 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.58 -8.57 59.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.329 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -106.59 -1.4 22.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.105 . . . . 0.0 111.004 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 98.72 -11.74 62.77 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.468 1.105 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.567 HD11 HD21 ' A' ' 72' ' ' LEU . 73.1 mt -76.57 124.17 34.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.431 ' NH1' ' HB3' ' A' ' 85' ' ' ARG . 5.6 mmm180 -124.47 -175.49 3.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.324 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -59.37 144.88 45.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.98 57.23 1.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -118.73 172.36 7.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -132.81 110.63 10.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.539 1.15 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.418 HG13 ' O ' ' A' ' 66' ' ' THR . 3.9 t -103.24 149.09 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -120.45 168.68 11.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.012 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.538 ' CZ ' HD21 ' A' ' 65' ' ' LEU . 3.5 m-85 -101.2 163.05 12.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.105 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.561 HG23 ' HB2' ' A' ' 64' ' ' HIS . 7.6 tt -143.42 155.77 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.7 tttt -107.69 136.22 47.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.9 mtpt -62.11 -177.0 0.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -97.2 88.13 4.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -140.01 -152.84 5.91 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.505 1.128 . . . . 0.0 110.961 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 100' ' ' SER . 1.6 tt0 -142.08 85.25 1.91 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 0.773 . . . . 0.0 110.306 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.6 mmtp 69.4 -68.55 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.258 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 98' ' ' GLN . 0.4 OUTLIER 64.4 116.01 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.159 . . . . 0.0 109.97 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 71.13 97.35 0.06 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.524 1.14 . . . . 0.0 110.973 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 88.27 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 22.8 t -167.89 -58.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.966 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 13.0 p -165.13 -175.36 3.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.05 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.532 1.145 . . . . 0.0 111.015 179.97 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.02 -57.82 1.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 0.765 . . . . 0.0 110.011 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -47.51 109.42 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.994 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.1 -172.03 26.04 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.118 . . . . 0.0 111.034 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.6 p -171.04 91.42 0.15 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 0.771 . . . . 0.0 110.066 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -145.13 77.64 1.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 110.017 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.06 -144.67 10.29 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -147.97 170.68 17.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 0.76 . . . . 0.0 111.027 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -120.81 95.5 4.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.396 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.829 HG11 HD21 ' A' ' 33' ' ' LEU . 91.1 t -87.31 112.6 23.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.322 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.463 ' HB3' ' CG2' ' A' ' 19' ' ' VAL . 41.1 mtt180 -84.18 134.05 34.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 110.351 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.691 HG21 HD11 ' A' ' 37' ' ' ILE . 61.8 t -117.49 91.28 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 14' ' ' LYS . 3.5 m -74.35 84.77 1.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.11 . . . . 0.0 108.268 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 13' ' ' CYS . 35.1 mtmt -38.55 152.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -30.56 20.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -69.93 -51.74 30.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 157.66 -54.63 0.39 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.509 1.131 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -42.49 119.01 1.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 0.753 . . . . 0.0 110.282 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.463 ' CG2' ' HB3' ' A' ' 11' ' ' ARG . 1.0 OUTLIER -101.14 134.86 39.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.558 1.161 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.441 ' HB3' ' CZ ' ' A' ' 40' ' ' TYR . 1.2 mtp -113.28 123.05 34.14 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 107.26 2.44 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.498 1.788 . . . . 0.0 110.955 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.901 HG21 HG12 ' A' ' 37' ' ' ILE . 45.7 t -103.34 146.88 10.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.3 t -117.2 142.13 32.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.462 ' HB ' ' CB ' ' A' ' 28' ' ' ALA . 0.0 OUTLIER -145.9 -176.18 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.458 HG23 ' C ' ' A' ' 27' ' ' ASN . 34.1 m -81.64 146.1 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -44.8 -27.92 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.458 ' C ' HG23 ' A' ' 25' ' ' VAL . 0.9 OUTLIER -122.82 60.81 1.02 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.472 1.108 . . . . 0.0 109.335 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.462 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -92.93 170.49 9.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 29.4 p -130.91 -176.27 3.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.412 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 74' ' ' GLU . 48.2 t -57.01 -41.75 77.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.4 tp -54.52 -68.34 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.6 OUTLIER -42.87 -47.84 5.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.829 HD21 HG11 ' A' ' 10' ' ' VAL . 0.6 OUTLIER -38.76 -70.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.277 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.562 ' HG2' ' CE3' ' A' ' 60' ' ' TRP . 0.8 OUTLIER -49.45 -56.38 9.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -42.2 -42.93 3.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.621 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -67.36 -67.63 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.901 HG12 HG21 ' A' ' 22' ' ' VAL . 96.8 mt -39.81 -30.76 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.437 ' N ' ' C ' ' A' ' 36' ' ' ALA . 9.2 mt-30 -76.1 -49.68 16.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.806 ' O ' HD23 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -67.67 -8.1 32.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.332 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.473 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 2.8 t80 -85.17 -39.19 18.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.9 t -93.49 -41.6 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.38 -68.86 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.806 HD23 ' O ' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -43.47 -41.13 4.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.461 ' N ' HD12 ' A' ' 43' ' ' LEU . 6.4 ttpt -60.9 -70.76 0.16 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.25 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 48' ' ' GLU . 74.6 mt-30 -44.45 -52.54 7.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.337 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.91 -55.18 7.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.325 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -57.41 -24.11 53.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.312 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 45' ' ' GLN . 16.0 mt-10 -97.68 17.49 17.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 103.87 -57.25 0.55 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 110.986 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 126.6 142.22 5.61 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.473 HG22 ' H ' ' A' ' 52' ' ' GLN . 0.7 OUTLIER -84.84 177.32 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 0.773 . . . . 0.0 109.32 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.473 ' H ' HG22 ' A' ' 51' ' ' VAL . 17.0 mm-40 -54.97 -77.68 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -162.02 141.21 9.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.575 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 88.1 mt -115.69 143.49 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.1 61.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.491 ' HB3' ' CD1' ' A' ' 60' ' ' TRP . 24.5 m95 -52.65 -46.79 67.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 107.996 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.06 -60.23 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.938 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 32.9 t80 -62.46 -52.33 63.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 47.8 t -47.63 -49.24 10.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.562 ' CE3' ' HG2' ' A' ' 34' ' ' LYS . 41.9 m95 -68.12 -31.94 71.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 107.986 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.59 39.95 0.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 110.34 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 83.8 m -155.2 -48.06 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.417 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.475 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 80.1 m-85 -116.9 153.7 32.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.812 ' ND1' HG22 ' A' ' 73' ' ' THR . 96.4 m-70 -129.89 170.23 14.18 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.603 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.683 ' HG ' HD12 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -89.25 113.32 24.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.323 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.617 HG22 ' O ' ' A' ' 91' ' ' SER . 0.0 OUTLIER -105.81 161.97 13.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 110.399 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.598 ' HB2' HG22 ' A' ' 90' ' ' VAL . 46.7 t -158.09 -76.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.006 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.69 31.14 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.98 -27.61 7.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.09 116.59 18.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 0.756 . . . . 0.0 110.311 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.433 ' HG2' HG21 ' A' ' 93' ' ' ILE . 40.2 mttt -66.74 112.35 4.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.716 HD21 HD11 ' A' ' 84' ' ' ILE . 4.8 mt -72.24 98.76 2.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.812 HG22 ' ND1' ' A' ' 64' ' ' HIS . 40.9 p -122.05 -42.74 2.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.41 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.491 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 2.2 mm-40 -54.32 116.93 2.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -78.61 -24.7 45.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.4 mmt85 -79.17 -28.54 42.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.465 ' HG2' ' CE2' ' A' ' 82' ' ' TYR . 22.6 tttt -81.78 120.82 25.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -69.32 155.94 39.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.28 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.539 HD11 HD23 ' A' ' 33' ' ' LEU . 83.0 mt -63.0 -33.24 74.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.44 -32.81 73.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.44 1.087 . . . . 0.0 110.309 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -65.96 -24.41 66.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.515 ' CD1' HD23 ' A' ' 72' ' ' LEU . 9.2 m-85 -88.68 -7.02 57.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.21 23.72 21.38 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.716 HD11 HD21 ' A' ' 72' ' ' LEU . 12.4 mt -100.52 116.9 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 0.764 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 51.7 mmt-85 -113.84 -175.37 2.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.404 ' OD1' ' C ' ' A' ' 86' ' ' ASN . 4.6 t-20 -60.46 138.37 58.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.16 . . . . 0.0 109.305 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.6 mtt85 63.95 62.03 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.42 ' CG ' HG23 ' A' ' 84' ' ' ILE . 8.1 t70 -110.77 174.87 5.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.274 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -123.04 108.93 13.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.318 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.598 HG22 ' HB2' ' A' ' 67' ' ' SER . 5.7 t -114.07 157.84 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.617 ' O ' HG22 ' A' ' 66' ' ' THR . 0.6 OUTLIER -146.61 164.92 31.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 110.004 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -96.91 119.94 36.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.611 ' HB ' HG21 ' A' ' 66' ' ' THR . 20.3 tt -106.48 159.16 6.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.475 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 7.4 tttt -101.47 128.45 47.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.408 ' HD2' ' NE2' ' A' ' 64' ' ' HIS . 43.8 mtpt -50.71 160.58 0.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.48 90.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 95' ' ' LYS . . . -119.9 -142.63 6.72 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.514 1.134 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -173.87 -62.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.754 . . . . 0.0 110.306 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -112.93 135.98 53.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -176.95 149.65 0.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -174.16 97.74 0.12 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.444 1.09 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 130.92 13.75 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.519 1.8 . . . . 0.0 111.022 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 12.7 t -65.49 140.48 58.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.96 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 4.8 t -158.39 153.39 25.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.982 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.937 0 O-C-N 124.526 1.141 . . . . 0.0 110.987 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m -155.06 169.28 24.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 0.77 . . . . 0.0 110.013 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 p -164.39 172.71 13.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.972 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.78 -129.07 2.56 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.512 1.132 . . . . 0.0 110.968 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 69.42 89.23 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.565 0.803 . . . . 0.0 110.02 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.9 t 69.32 141.45 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.038 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.417 ' CA ' ' O ' ' A' ' 24' ' ' VAL . . . 111.93 -160.63 13.09 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.536 1.148 . . . . 0.0 110.963 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.415 ' HA ' ' OD1' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -146.08 175.53 10.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 0.765 . . . . 0.0 111.027 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -120.26 95.55 4.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.404 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.436 HG11 HD21 ' A' ' 33' ' ' LEU . 64.9 t -86.91 119.35 34.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.536 ' HB3' HG11 ' A' ' 19' ' ' VAL . 8.3 mtt-85 -92.13 108.77 20.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 110.26 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.57 HG13 ' CD1' ' A' ' 92' ' ' PHE . 41.1 t -74.16 136.6 24.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.475 ' CB ' ' HA ' ' A' ' 91' ' ' SER . 0.1 OUTLIER -106.4 79.75 1.41 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 108.305 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.7 mtmt -50.41 177.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.1 ptp -69.45 63.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 111.036 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.6 t0 73.5 27.36 1.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.339 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -103.21 -145.66 15.67 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.469 1.106 . . . . 0.0 111.039 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -97.91 131.24 44.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.75 . . . . 0.0 110.342 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.536 HG11 ' HB3' ' A' ' 11' ' ' ARG . 78.9 t -68.23 145.7 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.3 mtp -122.86 122.33 27.12 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 108.4 2.71 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.472 1.775 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.849 HG21 HG12 ' A' ' 37' ' ' ILE . 60.1 t -103.77 146.19 11.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 45.1 t -114.1 139.88 37.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.417 ' O ' ' CA ' ' A' ' 7' ' ' GLY . 3.1 m -149.41 176.66 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 109.339 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.455 HG23 ' C ' ' A' ' 27' ' ' ASN . 31.5 m -79.3 144.68 10.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -43.27 -26.57 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.302 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.455 ' C ' HG23 ' A' ' 25' ' ' VAL . 6.5 p30 -128.12 65.29 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -92.34 177.26 6.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 72.7 p -131.15 -175.86 3.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.402 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.552 ' HA ' HD21 ' A' ' 79' ' ' LEU . 98.7 t -58.18 -40.96 79.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.2 tp -56.73 -64.92 0.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -41.8 -52.88 3.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.714 HD23 ' CD1' ' A' ' 79' ' ' LEU . 0.6 OUTLIER -38.16 -71.66 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.693 ' HG3' HD21 ' A' ' 65' ' ' LEU . 0.3 OUTLIER -50.46 -53.97 25.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -43.56 -50.01 7.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.479 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -60.49 -68.44 0.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.849 HG12 HG21 ' A' ' 22' ' ' VAL . 95.9 mt -39.05 -32.62 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.415 ' N ' ' C ' ' A' ' 36' ' ' ALA . 4.3 mt-30 -77.05 -50.04 13.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 110.288 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 36' ' ' ALA . 1.3 tpm_? -67.58 -6.71 21.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.561 1.163 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.427 ' O ' ' CB ' ' A' ' 44' ' ' LYS . 6.9 t80 -86.73 -38.96 16.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.1 t -94.85 -41.34 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -70.89 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.11 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 43' ' ' LEU . 3.8 mt -51.93 -59.27 4.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 40' ' ' TYR . 53.6 tttt -41.48 -65.29 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 49' ' ' GLY . 80.4 mt-30 -47.54 -47.82 27.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.67 -49.66 14.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.262 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -69.8 -31.81 69.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' A' ' 49' ' ' GLY . 12.6 mt-10 -95.03 20.38 9.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 45' ' ' GLN . . . 37.72 84.42 0.01 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.123 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -91.98 -173.48 42.34 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.413 HG23 ' N ' ' A' ' 52' ' ' GLN . 2.5 m -58.81 -168.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.413 ' N ' HG23 ' A' ' 51' ' ' VAL . 38.5 mm-40 -59.61 -68.58 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.273 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -163.78 170.54 16.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.64 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.41 HD11 ' OE1' ' A' ' 45' ' ' GLN . 3.5 mt -122.12 143.89 33.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.468 ' O ' HG23 ' A' ' 59' ' ' VAL . 0.2 OUTLIER -81.6 71.81 8.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.982 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . . . . . . . . . 54.6 m95 -60.53 -34.5 74.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 108.019 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.26 -58.52 5.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.968 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.469 ' C ' ' CD1' ' A' ' 58' ' ' TYR . 1.6 t80 -60.39 -35.59 76.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 55' ' ' SER . 79.1 t -62.06 -64.65 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.557 ' CE3' ' HG2' ' A' ' 34' ' ' LYS . 48.9 m95 -58.1 -24.31 58.16 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.568 1.167 . . . . 0.0 108.021 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -91.21 32.44 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 110.294 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 53.5 m -151.87 -45.52 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.408 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.496 ' CE1' ' HB2' ' A' ' 94' ' ' LYS . 94.3 m-85 -116.43 167.9 10.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.404 ' C ' HD13 ' A' ' 65' ' ' LEU . 74.1 m-70 -147.1 166.16 27.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.581 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.693 HD21 ' HG3' ' A' ' 34' ' ' LYS . 0.2 OUTLIER -88.63 118.16 28.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.532 ' O ' HG13 ' A' ' 90' ' ' VAL . 0.5 OUTLIER -116.14 165.06 13.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.429 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.5 t -143.59 -71.11 0.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.973 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.24 56.59 1.84 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.26 -34.02 3.92 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.547 1.154 . . . . 0.0 110.977 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.481 ' HB3' ' CD1' ' A' ' 82' ' ' TYR . 1.2 mt-10 -67.18 99.52 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 0.761 . . . . 0.0 110.277 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -69.81 110.5 4.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.879 HD21 HD11 ' A' ' 84' ' ' ILE . 11.3 mt -66.88 87.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 79.1 p -118.11 -38.45 3.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.428 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.48 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.7 OUTLIER -62.81 114.43 3.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 110.341 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -77.34 -32.16 54.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -73.81 -26.67 60.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.469 ' HG2' ' CE2' ' A' ' 82' ' ' TYR . 11.9 tttt -80.06 137.85 36.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.49 152.75 23.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.714 ' CD1' HD23 ' A' ' 33' ' ' LEU . 25.1 mt -66.18 -33.23 75.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 11.3 ttp180 -63.38 -38.45 91.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.309 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.37 -20.85 66.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.481 ' CD1' ' HB3' ' A' ' 70' ' ' GLU . 5.9 m-85 -91.07 11.1 24.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 77.07 19.88 76.6 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.524 1.14 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.879 HD11 HD21 ' A' ' 72' ' ' LEU . 21.0 mt -99.84 104.25 15.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 0.76 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -100.91 -174.41 2.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.415 ' OD1' ' HA ' ' A' ' 8' ' ' MET . 5.6 t30 -66.16 154.93 38.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.51 40.88 31.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.364 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -102.3 158.56 16.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -113.55 112.14 23.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' ' 66' ' ' THR . 25.4 t -97.76 147.72 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.475 ' HA ' ' CB ' ' A' ' 13' ' ' CYS . 0.1 OUTLIER -110.49 168.52 9.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.994 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.57 ' CD1' HG13 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -113.81 132.85 55.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 111.001 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 63' ' ' TYR . 12.5 tt -124.14 152.85 30.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.496 ' HB2' ' CE1' ' A' ' 63' ' ' TYR . 4.2 ttmt -105.05 133.86 49.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.332 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -48.45 173.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.72 96.83 9.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 139.53 142.53 4.25 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.516 1.135 . . . . 0.0 111.047 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.79 166.97 16.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 0.754 . . . . 0.0 110.345 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.4 -62.26 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.9 t 63.8 108.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.118 . . . . 0.0 110.004 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -141.77 100.83 0.27 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.485 1.116 . . . . 0.0 110.959 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 175.2 11.55 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.506 1.793 . . . . 0.0 111.022 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.16 112.01 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.978 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 8.1 t -83.25 -59.12 2.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.993 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.451 1.095 . . . . 0.0 110.981 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.5 m -74.23 101.81 4.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 0.77 . . . . 0.0 110.003 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.5 m -105.88 -56.15 2.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 0.0 109.959 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.9 -151.37 5.42 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.453 1.096 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.2 p -145.08 131.62 19.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.761 . . . . 0.0 110.009 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.5 t -160.1 152.69 21.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.973 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.1 -163.63 12.35 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.0 175.81 9.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 0.756 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -121.01 104.41 9.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.432 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.563 ' HB ' HD21 ' A' ' 33' ' ' LEU . 87.1 t -99.96 109.94 25.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.458 ' HB3' ' CG2' ' A' ' 19' ' ' VAL . 4.3 mtt180 -78.91 137.9 37.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.342 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.527 HG21 ' CD1' ' A' ' 37' ' ' ILE . 53.2 t -120.16 88.94 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 14' ' ' LYS . 8.8 t -70.89 83.33 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 108.291 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 13' ' ' CYS . 56.7 mtmt -39.49 146.7 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.479 ' SD ' ' CZ ' ' A' ' 63' ' ' TYR . 2.6 ptp -44.51 -52.68 7.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 111.055 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -138.58 55.36 1.74 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -149.32 -167.98 14.47 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -94.55 121.21 35.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 0.76 . . . . 0.0 110.324 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' ' 11' ' ' ARG . 1.5 p -40.81 149.8 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.5 mtp -130.96 122.74 19.53 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 110.944 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 106.6 2.31 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.526 1.803 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.831 HG21 HG12 ' A' ' 37' ' ' ILE . 56.9 t -102.43 148.43 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.49 ' O ' HG13 ' A' ' 24' ' ' VAL . 12.1 p -114.13 145.55 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.49 HG13 ' O ' ' A' ' 23' ' ' VAL . 15.7 m -154.51 167.05 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.47 HG22 ' HB2' ' A' ' 28' ' ' ALA . 17.0 m -61.28 154.73 4.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -53.67 -19.64 4.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.407 ' C ' HG23 ' A' ' 25' ' ' VAL . 36.5 p30 -135.3 66.05 1.53 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.47 ' HB2' HG22 ' A' ' 25' ' ' VAL . . . -95.43 166.97 11.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.8 p -113.93 -174.0 2.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.422 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.778 HG12 ' HE2' ' A' ' 34' ' ' LYS . 88.7 t -60.48 -64.65 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.426 HD21 ' HE3' ' A' ' 35' ' ' LYS . 19.3 tp -40.86 -58.25 1.74 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 31' ' ' LEU . 0.8 OUTLIER -39.51 -59.9 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.337 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.799 ' CD1' HD11 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -45.29 -48.76 12.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.778 ' HE2' HG12 ' A' ' 30' ' ' VAL . 25.9 mtmt -59.68 -44.95 93.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.426 ' HE3' HD21 ' A' ' 31' ' ' LEU . 32.5 mttt -57.5 -50.79 71.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.403 ' CB ' ' CG1' ' A' ' 22' ' ' VAL . . . -56.37 -62.34 1.79 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.831 HG12 HG21 ' A' ' 22' ' ' VAL . 61.9 mt -39.82 -33.2 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -76.97 -54.03 7.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.981 ' O ' HD23 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -63.51 -11.4 23.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.323 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.483 ' HD1' HG23 ' A' ' 41' ' ' VAL . 56.1 t80 -82.23 -40.29 21.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 111.028 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.483 HG23 ' HD1' ' A' ' 40' ' ' TYR . 72.8 t -94.34 -44.79 13.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.238 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -51.04 -62.39 1.65 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.981 HD23 ' O ' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -53.84 -42.16 68.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.409 ' N ' ' HG ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -50.89 -68.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.35 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.555 ' OE1' HD11 ' A' ' 54' ' ' ILE . 18.4 mt-30 -53.05 -49.79 65.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.67 -52.51 2.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.09 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.75 -46.81 67.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.289 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -73.11 -23.14 60.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 45' ' ' GLN . . . 154.61 -72.05 0.27 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.519 1.137 . . . . 0.0 111.057 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 131.1 155.25 8.13 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.47 HG13 ' N ' ' A' ' 52' ' ' GLN . 0.3 OUTLIER -105.98 179.54 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.543 0.79 . . . . 0.0 109.303 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.47 ' N ' HG13 ' A' ' 51' ' ' VAL . 46.7 mm-40 -71.34 59.19 0.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 54.16 103.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.585 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.555 HD11 ' OE1' ' A' ' 45' ' ' GLN . 93.5 mt -60.35 128.83 22.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.07 72.25 1.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.992 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.494 ' HB3' ' CD1' ' A' ' 60' ' ' TRP . 65.4 m95 -74.78 -40.72 61.0 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.021 -1.104 . . . . 0.0 108.021 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.25 -58.75 1.72 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.951 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -56.34 -57.13 13.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 71.2 t -45.78 -57.18 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.559 ' CZ3' ' HG2' ' A' ' 34' ' ' LYS . 47.7 m95 -59.46 -34.46 72.57 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.21 38.5 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.6 m -155.07 -50.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 1.081 . . . . 0.0 110.414 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.479 ' CZ ' ' SD ' ' A' ' 15' ' ' MET . 92.8 m-85 -114.66 148.71 37.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -120.89 168.66 11.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.558 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.555 HD11 ' HG2' ' A' ' 34' ' ' LYS . 13.7 mt -93.1 128.73 39.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.631 HG22 ' O ' ' A' ' 91' ' ' SER . 1.1 t -106.43 170.04 8.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 110.354 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.688 ' HB3' HD11 ' A' ' 72' ' ' LEU . 4.8 t 170.39 143.8 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 110.03 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 46.8 32.94 1.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 58.18 34.79 74.81 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.487 1.117 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -135.75 118.88 16.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.752 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.566 ' HE2' HD13 ' A' ' 93' ' ' ILE . 9.4 mmtt -58.02 128.43 37.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.688 HD11 ' HB3' ' A' ' 67' ' ' SER . 13.0 mt -97.99 81.3 2.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.3 p -95.99 -47.71 6.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.436 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.491 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.6 OUTLIER -52.4 135.25 33.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.346 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.42 ' HB3' ' HB2' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -98.8 -42.97 6.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.35 -19.84 65.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.255 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.453 ' HG2' ' CD2' ' A' ' 82' ' ' TYR . 1.0 OUTLIER -76.91 127.22 32.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.13 147.84 40.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 32.8 mt -58.54 -34.57 71.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 22.4 ttt-85 -62.64 -37.42 86.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.309 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.16 -12.71 61.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.632 ' CE1' HD23 ' A' ' 72' ' ' LEU . 1.2 m-85 -97.05 9.36 42.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 81.55 11.78 82.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.712 HG23 ' OD2' ' A' ' 88' ' ' ASP . 34.3 mt -88.42 152.97 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 109.329 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.449 ' NH1' ' CG ' ' A' ' 88' ' ' ASP . 0.0 OUTLIER -148.05 -175.47 4.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -63.71 132.0 49.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 68.46 73.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.169 . . . . 0.0 110.313 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.712 ' OD2' HG23 ' A' ' 84' ' ' ILE . 43.5 t0 -123.86 174.49 7.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -121.88 112.44 18.33 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.511 HG22 ' HB2' ' A' ' 67' ' ' SER . 4.1 t -115.64 158.86 15.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.631 ' O ' HG22 ' A' ' 66' ' ' THR . 0.3 OUTLIER -148.58 166.94 26.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.444 ' CE1' ' CD2' ' A' ' 65' ' ' LEU . 2.7 m-85 -97.06 140.64 31.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.566 HD13 ' HE2' ' A' ' 71' ' ' LYS . 9.1 tt -127.89 155.63 39.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -99.9 144.0 29.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 46.7 mtpt -53.03 -175.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.0 tt -114.61 106.35 14.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.413 ' O ' ' N ' ' A' ' 99' ' ' LYS . . . 147.58 -108.98 0.45 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -45.79 96.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 0.785 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 97' ' ' GLY . 0.8 OUTLIER -119.97 105.44 11.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 35.2 t -174.93 111.02 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.021 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -109.97 120.75 5.78 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.486 1.116 . . . . 0.0 111.04 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 78.03 2.98 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.462 1.77 . . . . 0.0 111.038 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 35.1 t 61.82 152.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.967 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.18 -57.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 110.0 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.539 1.149 . . . . 0.0 111.021 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.2 p -148.88 93.39 2.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 0.761 . . . . 0.0 110.002 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.6 90.27 3.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.995 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.28 -175.06 0.17 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.501 1.125 . . . . 0.0 111.015 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.17 152.02 21.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 0.779 . . . . 0.0 109.974 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 55.62 166.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.983 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.62 -174.64 47.16 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.5 ' CG ' HG23 ' A' ' 24' ' ' VAL . 2.1 ptm -158.74 154.34 26.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 0.773 . . . . 0.0 110.97 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.4 m -100.77 107.36 18.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.411 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.699 HG11 HD21 ' A' ' 33' ' ' LEU . 82.2 t -105.96 127.08 61.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.682 ' HB3' HG13 ' A' ' 19' ' ' VAL . 11.3 mtt-85 -90.34 149.29 22.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.515 HG21 ' CD1' ' A' ' 37' ' ' ILE . 90.2 t -130.71 126.56 60.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 15.9 t -90.5 85.77 6.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 108.268 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 16' ' ' ASP . 19.6 mtmt -50.7 168.68 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.356 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.78 64.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 14' ' ' LYS . 26.2 t0 -176.28 -53.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 151.09 -25.68 1.0 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.502 1.126 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -50.35 145.11 6.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 0.747 . . . . 0.0 110.312 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.682 HG13 ' HB3' ' A' ' 11' ' ' ARG . 98.0 t -114.3 130.28 68.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 7.3 mtp -117.61 122.38 30.88 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 108.33 2.69 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.495 1.787 . . . . 0.0 111.023 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.924 HG21 HG12 ' A' ' 37' ' ' ILE . 90.0 t -102.86 151.82 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.5 t -115.51 136.88 50.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.256 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.5 HG23 ' CG ' ' A' ' 8' ' ' MET . 19.7 m -149.32 163.1 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.537 HG23 ' C ' ' A' ' 27' ' ' ASN . 23.7 m -62.72 149.79 9.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -49.44 -22.56 1.21 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.142 . . . . 0.0 110.315 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.537 ' C ' HG23 ' A' ' 25' ' ' VAL . 8.1 m120 -132.31 60.54 1.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.502 ' HB2' HG22 ' A' ' 25' ' ' VAL . . . -84.67 178.35 7.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 28.9 p -129.23 -175.92 3.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.415 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.435 ' CG2' ' O ' ' A' ' 74' ' ' GLU . 69.1 t -57.44 -56.82 12.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.36 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.4 tp -50.66 -55.52 16.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -42.61 -58.97 2.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.747 ' CD1' HD11 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -40.24 -50.23 2.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.549 ' HG2' ' CZ3' ' A' ' 60' ' ' TRP . 1.5 mttp -59.82 -56.83 16.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.274 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -44.98 -48.5 11.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 39' ' ' ARG . . . -59.02 -67.13 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 109.248 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.924 HG12 HG21 ' A' ' 22' ' ' VAL . 78.5 mt -40.52 -30.16 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.422 ' N ' ' C ' ' A' ' 36' ' ' ALA . 3.0 mt-30 -74.64 -49.97 19.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.28 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.777 ' O ' HD23 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -64.84 -10.55 29.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 0.0 110.312 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.415 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 5.4 t80 -85.98 -39.64 16.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.444 ' O ' ' NE2' ' A' ' 45' ' ' GLN . 55.8 t -91.11 -37.67 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.5 tm0? -63.63 -69.47 0.27 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.778 ' C ' HD12 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -41.7 -38.89 1.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.31 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.462 ' N ' HD12 ' A' ' 43' ' ' LEU . 0.8 OUTLIER -53.21 -72.38 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.449 ' N ' ' CD ' ' A' ' 45' ' ' GLN . 1.3 mp0 -47.19 -37.96 11.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.266 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.65 -47.5 70.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -74.74 -12.6 60.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 110.33 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -102.31 -2.33 29.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 105.44 -61.49 0.36 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.517 1.136 . . . . 0.0 111.027 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 156.9 149.63 5.45 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.566 HG22 ' H ' ' A' ' 52' ' ' GLN . 0.8 OUTLIER -100.98 -175.98 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.475 0.75 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.566 ' H ' HG22 ' A' ' 51' ' ' VAL . 2.8 mt-30 -53.19 -68.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 22.4 p-80 -176.25 129.82 0.22 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.625 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 50.6 mt -111.48 125.59 68.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.353 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.22 63.7 1.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 109.995 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.456 ' CZ3' HG11 ' A' ' 59' ' ' VAL . 15.2 m95 -54.63 -45.08 73.69 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.2 m -40.29 -61.16 0.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.951 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -60.96 -50.9 71.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.978 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.456 HG11 ' CZ3' ' A' ' 56' ' ' TRP . 45.7 t -43.61 -62.03 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.549 ' CZ3' ' HG2' ' A' ' 34' ' ' LYS . 52.8 m95 -62.88 -36.38 83.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 108.045 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.74 45.98 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.52 HG22 ' CD2' ' A' ' 63' ' ' TYR . 3.5 m -162.64 -51.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.41 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.55 ' CE1' ' HG3' ' A' ' 94' ' ' LYS . 98.2 m-85 -114.88 145.18 42.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 83.9 m-70 -114.41 179.21 4.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.576 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.565 HD13 HD12 ' A' ' 33' ' ' LEU . 67.5 mt -103.64 131.71 50.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.422 HG22 ' O ' ' A' ' 91' ' ' SER . 0.0 OUTLIER -112.59 163.47 14.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 110.36 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.561 ' HB2' HG22 ' A' ' 90' ' ' VAL . 6.6 t 177.19 145.39 0.1 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.132 . . . . 0.0 109.981 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 48.76 28.36 1.85 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 65.59 31.37 79.86 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 67' ' ' SER . 0.9 OUTLIER -128.44 141.26 51.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 0.754 . . . . 0.0 110.311 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -80.38 116.41 20.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.306 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.542 HD23 ' CE1' ' A' ' 82' ' ' TYR . 12.4 mt -81.85 86.36 6.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.348 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 67.7 p -107.54 -62.93 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.386 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.435 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 0.1 OUTLIER -43.58 128.77 5.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.46 -42.15 8.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -61.5 -18.25 58.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 42.5 tttt -86.04 133.78 33.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.9 mttp -82.22 150.82 27.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.28 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 31.0 mt -57.84 -36.45 72.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.92 -48.71 80.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -63.38 -14.76 53.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.542 ' CE1' HD23 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -90.4 -8.67 50.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.132 . . . . 0.0 110.986 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 97.17 -1.02 60.52 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.528 1.143 . . . . 0.0 110.99 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.484 HD11 HD21 ' A' ' 72' ' ' LEU . 71.7 mt -81.89 160.99 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 0.739 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.427 ' N ' HG22 ' A' ' 84' ' ' ILE . 0.0 OUTLIER -153.92 -174.93 5.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 110.287 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -72.86 137.5 45.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 76.51 38.76 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.435 ' OD2' HG23 ' A' ' 90' ' ' VAL . 0.8 OUTLIER -101.99 -176.49 3.14 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -132.13 123.24 26.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.312 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.561 HG22 ' HB2' ' A' ' 67' ' ' SER . 2.6 t -117.79 160.24 17.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.436 ' N ' ' CG1' ' A' ' 90' ' ' VAL . 0.9 OUTLIER -138.59 166.17 25.0 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.568 1.167 . . . . 0.0 109.998 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.536 ' CZ ' HD21 ' A' ' 65' ' ' LEU . 1.8 m-85 -106.06 123.22 47.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.423 1.077 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.1 tt -105.73 168.45 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 0.0 109.322 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.55 ' HG3' ' CE1' ' A' ' 63' ' ' TYR . 11.4 tttt -115.38 140.02 49.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -62.57 -179.31 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.54 112.35 20.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 158.69 -114.22 0.6 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.122 . . . . 0.0 110.985 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -39.07 151.75 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 0.766 . . . . 0.0 110.276 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -147.67 155.62 41.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 68.3 142.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.992 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -142.39 157.58 26.64 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.472 1.108 . . . . 0.0 110.98 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -45.43 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.454 1.765 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.3 m 71.16 -59.85 0.53 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.01 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.15 -60.56 1.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.006 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.457 1.098 . . . . 0.0 110.96 179.95 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.32 164.37 2.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 0.743 . . . . 0.0 109.977 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 64.21 144.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 110.007 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.06 175.88 0.05 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.533 1.146 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.9 p -99.59 88.48 3.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 0.764 . . . . 0.0 110.016 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.1 m -131.46 124.69 30.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 110.011 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.32 -162.4 24.56 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.585 1.178 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.413 ' HA ' ' OD1' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -147.07 159.72 43.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 0.772 . . . . 0.0 110.973 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -111.58 98.1 7.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.377 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.568 HG11 HD21 ' A' ' 33' ' ' LEU . 77.5 t -88.73 115.77 29.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.424 ' HB3' HG11 ' A' ' 19' ' ' VAL . 75.7 mtt180 -84.47 128.51 34.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.44 HG21 ' CD1' ' A' ' 37' ' ' ILE . 2.9 t -97.77 125.18 51.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.239 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.407 ' O ' ' C ' ' A' ' 14' ' ' LYS . 4.2 t -84.19 81.85 8.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 108.353 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -39.85 -80.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.418 ' O ' ' CB ' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -170.6 48.51 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.977 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.418 ' CB ' ' O ' ' A' ' 15' ' ' MET . 0.7 OUTLIER 76.26 15.42 2.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -105.67 -106.16 3.09 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.482 1.114 . . . . 0.0 110.947 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -115.0 127.23 55.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.764 . . . . 0.0 110.279 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.424 HG11 ' HB3' ' A' ' 11' ' ' ARG . 37.6 t -84.61 146.68 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 10.3 mtp -113.87 121.96 35.84 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 106.63 2.31 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.472 1.775 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.867 HG21 HG12 ' A' ' 37' ' ' ILE . 90.2 t -99.78 149.99 5.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.534 ' O ' HG13 ' A' ' 24' ' ' VAL . 13.6 p -119.36 146.78 23.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.534 HG13 ' O ' ' A' ' 23' ' ' VAL . 10.1 m -155.37 168.35 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 109.23 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.1 m -68.49 144.4 14.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.377 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -43.84 -26.36 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -128.33 64.66 1.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.41 ' CB ' ' HB ' ' A' ' 24' ' ' VAL . . . -91.38 177.19 6.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 43.5 p -130.88 -177.6 4.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.392 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.9 t -57.69 -44.05 84.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 31' ' ' LEU . 7.5 tp -56.95 -57.43 12.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.472 ' OD1' HG12 ' A' ' 24' ' ' VAL . 5.8 t70 -46.17 -57.7 4.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.568 HD21 HG11 ' A' ' 10' ' ' VAL . 0.4 OUTLIER -39.72 -66.33 0.31 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.559 ' HG2' ' CE3' ' A' ' 60' ' ' TRP . 0.4 OUTLIER -43.14 -59.2 2.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.36 -48.91 46.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.589 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -50.16 -70.35 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.867 HG12 HG21 ' A' ' 22' ' ' VAL . 72.6 mt -41.69 -31.39 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.52 ' OE1' ' CG ' ' A' ' 56' ' ' TRP . 2.4 mt-30 -76.53 -46.86 24.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.757 ' O ' HD23 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -66.8 -8.58 29.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.419 ' C ' ' CD1' ' A' ' 40' ' ' TYR . 5.7 t80 -87.46 -37.18 17.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.955 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 50.4 t -93.65 -36.29 7.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 2.6 tm0? -65.14 -69.58 0.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.778 ' C ' HD12 ' A' ' 43' ' ' LEU . 0.3 OUTLIER -43.39 -42.5 4.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.48 ' N ' HD12 ' A' ' 43' ' ' LEU . 13.5 ttpp -53.4 -62.91 1.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 49' ' ' GLY . 76.9 mt-30 -51.88 -53.2 43.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 110.296 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.29 -58.0 3.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -50.18 -53.79 25.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -65.37 -17.47 64.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.26 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 45' ' ' GLN . . . 67.83 59.13 6.79 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.512 1.132 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -139.38 73.91 0.4 Allowed Glycine 0 CA--C 1.531 1.051 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 17.0 m -61.78 126.96 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 0.773 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -127.25 166.99 16.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 110.28 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -90.35 102.4 15.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.632 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 7.6 mm -131.08 113.07 23.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.644 ' O ' HG23 ' A' ' 59' ' ' VAL . 0.1 OUTLIER -89.74 77.01 7.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 1.159 . . . . 0.0 110.012 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.52 ' CG ' ' OE1' ' A' ' 38' ' ' GLN . 71.0 m95 -59.55 -42.98 93.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 108.043 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.3 t -42.78 -59.29 2.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.062 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -62.89 -45.14 93.95 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 55' ' ' SER . 57.6 t -48.14 -61.52 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.57 ' HZ3' HD21 ' A' ' 65' ' ' LEU . 43.5 m95 -59.1 -25.01 63.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 108.001 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.38 30.45 1.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.265 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 6.7 m -146.63 -45.73 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 110.417 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.56 ' CE2' ' HB2' ' A' ' 94' ' ' LYS . 39.8 m-85 -110.18 156.26 20.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 87.0 m-70 -120.38 172.89 7.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.605 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.57 HD21 ' HZ3' ' A' ' 60' ' ' TRP . 37.6 mt -115.0 117.68 31.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.84 160.58 21.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.415 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.0 t -138.2 -82.85 0.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.961 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -98.44 31.29 2.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 97.16 -19.46 54.68 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.511 1.132 . . . . 0.0 110.976 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -78.12 100.61 6.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 0.751 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.932 ' HE3' HD13 ' A' ' 93' ' ' ILE . 7.6 mmtm -61.33 113.06 2.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.535 HD23 ' CE1' ' A' ' 82' ' ' TYR . 13.8 mt -74.71 91.15 2.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 70.7 p -120.59 1.35 10.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.419 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.423 ' CB ' ' HB3' ' A' ' 77' ' ' LYS . 0.4 OUTLIER -100.22 103.33 14.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.253 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -68.31 -30.49 69.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -76.51 -34.27 58.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.507 ' HD3' ' CE2' ' A' ' 82' ' ' TYR . 3.3 tttt -70.89 132.05 44.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -79.15 154.45 29.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 48.8 mt -60.1 -36.67 77.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.2 ttt180 -59.92 -38.26 81.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.253 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.94 -28.31 66.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.535 ' CE1' HD23 ' A' ' 72' ' ' LEU . 18.0 m-85 -89.03 -2.69 58.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 83.88 16.91 66.64 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.463 1.102 . . . . 0.0 111.03 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 82.3 mt -83.51 110.78 18.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.509 0.77 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 79.4 mmt-85 -104.94 -174.7 2.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.413 ' OD1' ' HA ' ' A' ' 8' ' ' MET . 7.0 t30 -70.36 154.97 41.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.98 31.26 20.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.32 162.66 13.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -121.74 115.12 22.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.284 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.2 t -99.93 149.95 5.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -113.3 163.59 14.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.998 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -112.12 164.84 12.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.932 HD13 ' HE3' ' A' ' 71' ' ' LYS . 10.2 tt -157.04 150.66 9.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.56 ' HB2' ' CE2' ' A' ' 63' ' ' TYR . 2.0 tmtt? -108.82 139.17 44.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.31 -174.25 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.19 121.61 44.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 127.54 -134.82 8.44 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 11.7 mp0 65.42 142.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 9.6 tttp -99.65 -73.15 0.64 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 33.9 p -45.81 150.84 0.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.005 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 167.53 -145.37 9.71 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.539 1.15 . . . . 0.0 110.998 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 153.0 41.42 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 110.987 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.85 108.27 1.71 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.034 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.65 96.8 2.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.02 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.065 0 O-C-N 124.507 1.13 . . . . 0.0 111.001 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.1 p -139.5 107.88 5.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 110.008 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.0 p -139.19 -58.32 0.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.4 145.54 4.74 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.469 1.106 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.9 p -138.58 118.72 13.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 110.008 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.2 p -55.28 169.66 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.05 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.22 -167.92 20.29 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.49 1.119 . . . . 0.0 111.004 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.409 ' HA ' ' OD1' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -140.63 175.48 9.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 0.784 . . . . 0.0 110.976 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.3 m -117.03 99.39 7.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.385 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.823 HG11 HD21 ' A' ' 33' ' ' LEU . 61.1 t -92.59 136.96 23.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 73.8 mtt85 -103.79 159.86 15.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.299 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.5 t -125.83 119.37 54.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 15.0 t -104.35 91.51 3.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 108.335 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.8 mtmt -59.72 -97.74 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.75 -42.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -64.73 -41.49 95.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 134.68 44.21 0.11 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -109.4 138.16 46.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 0.758 . . . . 0.0 110.321 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 55.1 t -130.05 122.02 53.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.515 ' SD ' ' CE1' ' A' ' 40' ' ' TYR . 11.8 mtm -117.86 122.68 30.35 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 111.026 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 106.88 2.36 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.556 1.819 . . . . 0.0 110.977 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.945 HG21 HG12 ' A' ' 37' ' ' ILE . 50.3 t -104.12 148.2 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.605 ' O ' HG13 ' A' ' 24' ' ' VAL . 55.4 t -117.58 146.53 21.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 23' ' ' VAL . 19.8 m -158.21 163.43 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.456 HG23 ' C ' ' A' ' 27' ' ' ASN . 33.8 m -63.96 143.95 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -47.03 -24.24 0.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 110.326 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.456 ' C ' HG23 ' A' ' 25' ' ' VAL . 2.9 m120 -122.1 53.82 1.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.435 ' N ' HG23 ' A' ' 25' ' ' VAL . . . -82.54 175.55 10.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.333 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 73.1 p -129.7 179.15 5.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.439 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.499 HG21 ' O ' ' A' ' 74' ' ' GLU . 60.0 t -57.82 -40.47 76.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.468 ' HG ' ' CD ' ' A' ' 35' ' ' LYS . 6.5 tp -60.03 -55.59 32.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 33' ' ' LEU . 74.5 m-20 -48.33 -58.51 4.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.823 HD21 HG11 ' A' ' 10' ' ' VAL . 0.5 OUTLIER -39.7 -53.55 2.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -56.8 -65.75 0.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.244 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.468 ' CD ' ' HG ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -42.29 -42.54 3.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.713 ' HB1' ' CG1' ' A' ' 22' ' ' VAL . . . -59.47 -70.37 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.945 HG12 HG21 ' A' ' 22' ' ' VAL . 78.3 mt -45.09 -26.74 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -77.47 -52.33 9.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.445 1.09 . . . . 0.0 110.274 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -10.46 18.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.515 ' CE1' ' SD ' ' A' ' 20' ' ' MET . 5.8 t80 -79.9 -42.32 24.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 58.0 t -94.53 -48.31 13.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.122 . . . . 0.0 109.309 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -45.85 -70.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 mt -53.84 -54.07 43.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.405 ' CB ' ' O ' ' A' ' 40' ' ' TYR . 3.7 ttmt -43.8 -62.2 1.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -53.42 -40.72 65.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.29 -45.81 65.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.77 -16.72 61.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -106.13 14.78 27.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.299 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.62 69.29 1.41 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -143.19 163.43 27.43 Favored Glycine 0 CA--C 1.531 1.037 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.405 HG22 ' H ' ' A' ' 52' ' ' GLN . 0.5 OUTLIER -141.22 176.18 4.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 0.775 . . . . 0.0 109.316 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.405 ' H ' HG22 ' A' ' 51' ' ' VAL . 2.9 mt-30 -74.86 105.52 5.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.299 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -159.74 36.92 0.19 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.632 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.488 ' O ' HG22 ' A' ' 54' ' ' ILE . 7.3 mt -112.88 1.29 8.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.271 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 53.89 43.87 30.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.948 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TRP . . . . . 0.452 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 47.7 m95 -44.9 -46.38 10.88 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.6 m -49.4 -54.67 16.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.931 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -66.79 -40.19 88.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 48.0 t -51.76 -52.21 23.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.452 ' CD1' ' O ' ' A' ' 56' ' ' TRP . 72.3 m95 -65.73 -41.18 92.53 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 6.8 ttt-85 -61.79 -18.02 58.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.098 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 9.1 m -102.64 -60.7 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.579 1.175 . . . . 0.0 110.431 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.556 ' CE1' ' HB2' ' A' ' 94' ' ' LYS . 96.4 m-85 -98.46 154.51 17.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.463 ' ND1' HG22 ' A' ' 73' ' ' THR . 54.2 m-70 -126.28 168.93 13.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.591 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.775 HD13 HD12 ' A' ' 33' ' ' LEU . 87.0 mt -97.12 115.29 27.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.591 ' O ' HG13 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -107.69 160.59 15.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.421 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 35.2 p -134.48 -53.59 0.83 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.977 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -164.54 67.18 0.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 81.43 -7.72 60.48 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.461 1.101 . . . . 0.0 110.958 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -103.49 106.02 16.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 0.783 . . . . 0.0 110.301 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -71.55 115.56 10.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.337 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.917 HD23 ' CD1' ' A' ' 82' ' ' TYR . 7.8 mt -79.58 79.51 6.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.463 HG22 ' ND1' ' A' ' 64' ' ' HIS . 61.3 p -109.86 -43.81 3.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.409 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.499 ' O ' HG21 ' A' ' 30' ' ' VAL . 0.2 OUTLIER -55.56 119.21 5.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -85.2 -34.79 21.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -70.31 -28.27 65.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 110.318 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -77.11 124.65 28.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.113 . . . . 0.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -68.78 163.79 23.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 33.1 mt -68.44 -39.77 81.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.66 -28.32 60.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.343 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.22 -22.73 60.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.917 ' CD1' HD23 ' A' ' 72' ' ' LEU . 2.7 m-85 -95.6 18.9 11.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 61.08 27.87 67.98 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 34.1 mm -78.83 150.0 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 0.758 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -142.05 -178.43 5.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.409 ' OD1' ' HA ' ' A' ' 8' ' ' MET . 7.1 t30 -79.83 145.03 32.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 63.84 32.76 13.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 110.29 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -85.01 178.32 7.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -136.44 108.85 7.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.332 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.591 HG13 ' O ' ' A' ' 66' ' ' THR . 39.9 t -97.75 142.7 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.431 ' HB2' HG23 ' A' ' 66' ' ' THR . 0.1 OUTLIER -111.91 161.79 16.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.969 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.598 ' CZ ' HD21 ' A' ' 65' ' ' LEU . 0.3 OUTLIER -106.77 123.48 48.21 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.512 1.133 . . . . 0.0 110.999 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 1.7 tt -108.94 166.91 4.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.556 ' HB2' ' CE1' ' A' ' 63' ' ' TYR . 2.8 ttmt -115.9 139.99 49.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.4 mtpt -65.85 -178.63 0.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.6 tp -87.56 92.51 9.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.137 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 99' ' ' LYS . . . -168.5 -56.92 0.03 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 63.31 -78.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 0.793 . . . . 0.0 110.331 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 97' ' ' GLY . 3.6 tttp 79.8 172.64 0.15 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -143.93 143.47 31.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.007 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 172.94 157.26 14.25 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 118.34 5.22 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.504 1.792 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 35.4 m -148.47 149.34 31.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.01 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 26.4 m 58.7 100.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.996 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.998 . . . . . . . . 0 0 . 1 stop_ save_